In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2009 | 34 | Yes |
Popular Name: [4-[(2R)-2-benzylpyrrolidine-1-carbonyl]phenyl]-[(2R)-2-benzylpyrrolidin-1-yl]methanone [4-[(2R)-2-benzylpyrrolidine-1-c…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.26 | 15.15 | -15.6 | 0 | 4 | 0 | 41 | 452.598 | 6 | ↓ |
Popular Name: (3-aminophenyl)-[(2S)-2-benzylpyrrolidin-1-yl]methanone (3-aminophenyl)-[(2S)-2-benzylpy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.15 | 7.69 | -8.81 | 2 | 3 | 0 | 46 | 280.371 | 3 | ↓ |
Popular Name: (3-aminophenyl)-[(2R)-2-benzylpyrrolidin-1-yl]methanone (3-aminophenyl)-[(2R)-2-benzylpy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.15 | 7.64 | -9.13 | 2 | 3 | 0 | 46 | 280.371 | 3 | ↓ |
Popular Name: (4-aminophenyl)-[(2S)-2-benzylpyrrolidin-1-yl]methanone (4-aminophenyl)-[(2S)-2-benzylpy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.17 | 7.7 | -9.1 | 2 | 3 | 0 | 46 | 280.371 | 3 | ↓ |
Popular Name: (4-aminophenyl)-[(2R)-2-benzylpyrrolidin-1-yl]methanone (4-aminophenyl)-[(2R)-2-benzylpy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.17 | 7.65 | -9.46 | 2 | 3 | 0 | 46 | 280.371 | 3 | ↓ |
Popular Name: (2-aminophenyl)-[(2S)-2-benzylpyrrolidin-1-yl]methanone (2-aminophenyl)-[(2S)-2-benzylpy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.53 | 8 | -6.33 | 2 | 3 | 0 | 46 | 280.371 | 3 | ↓ |
Popular Name: (2-aminophenyl)-[(2R)-2-benzylpyrrolidin-1-yl]methanone (2-aminophenyl)-[(2R)-2-benzylpy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.53 | 7.97 | -6.5 | 2 | 3 | 0 | 46 | 280.371 | 3 | ↓ |