In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 20 | Yes |
Popular Name: (3R)-3-amino-N-methyl-N-[(5-methylisoxazol-3-yl)methyl]-3-phenyl-propanamide (3R)-3-amino-N-methyl-N-[(5-meth…
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) | -0.61 | 5.44 | -44.07 | 3 | 5 | 1 | 74 | 274.344 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.61 | 5.07 | -9.48 | 2 | 5 | 0 | 72 | 273.336 | 5 | ↓ |
Popular Name: (3S)-3-amino-N-[(5-methylisoxazol-3-yl)methyl]-3-phenyl-propanamide (3S)-3-amino-N-[(5-methylisoxazo…
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) | -0.85 | 3.29 | -43.61 | 4 | 5 | 1 | 83 | 260.317 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.85 | 2.92 | -10.45 | 3 | 5 | 0 | 81 | 259.309 | 5 | ↓ |
Popular Name: (3S)-3-amino-N-methyl-N-[(5-methylisoxazol-3-yl)methyl]-3-phenyl-propanamide (3S)-3-amino-N-methyl-N-[(5-meth…
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) | -0.61 | 5.44 | -45.32 | 3 | 5 | 1 | 74 | 274.344 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.61 | 5.12 | -8.98 | 2 | 5 | 0 | 72 | 273.336 | 5 | ↓ |