| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 21 | Yes |
Popular Name: 3-[[(3S)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one 3-[[(3S)-3-(aminomethyl)pyrrolid…
| 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) | 1.00 | 5.95 | -108.14 | 5 | 4 | 2 | 65 | 287.407 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 3.63 | -51.68 | 4 | 4 | 1 | 64 | 286.399 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
