In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 18 | Yes |
Popular Name: 7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine 7-chloro-N-[(3R)-1-methylpyrroli…
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) | 3.50 | 7.23 | -89.34 | 3 | 3 | 2 | 31 | 263.772 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 6.81 | -47.3 | 2 | 3 | 1 | 29 | 262.764 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0656353A1; EP0656353B1 | IBM Patent Data |
Popular Name: 7-chloro-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]quinolin-4-amine 7-chloro-N-[(3R)-1-cyclopropylpy…
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) | 3.87 | 8.73 | -88.8 | 3 | 3 | 2 | 31 | 289.81 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 8.32 | -45.13 | 2 | 3 | 1 | 29 | 288.802 | 3 | ↓ |
Popular Name: 8-chloro-N-[(3S)-1-isopropylpyrrolidin-3-yl]quinolin-5-amine 8-chloro-N-[(3S)-1-isopropylpyrr…
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) | 4.17 | 8.18 | -46.43 | 2 | 3 | 1 | 29 | 290.818 | 3 | ↓ |
Popular Name: 8-chloro-N-[(3R)-1-isopropylpyrrolidin-3-yl]quinolin-5-amine 8-chloro-N-[(3R)-1-isopropylpyrr…
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) | 4.17 | 8.07 | -46.39 | 2 | 3 | 1 | 29 | 290.818 | 3 | ↓ |
Popular Name: 7-chloro-N-[(3S)-1-methylpyrrolidin-3-yl]quinolin-4-amine 7-chloro-N-[(3S)-1-methylpyrroli…
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) | 3.50 | 7.26 | -89.53 | 3 | 3 | 2 | 31 | 263.772 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 6.84 | -47.26 | 2 | 3 | 1 | 29 | 262.764 | 2 | ↓ |