| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2011 | 22 | Yes |
Popular Name: 3-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-7-methylsulfanyl-1H-quinolin-2-one 3-[[(3S)-3-(hydroxymethyl)-1-pip…
| 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) | 1.44 | 5.62 | -42.29 | 3 | 4 | 1 | 58 | 319.45 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 3.39 | -13.02 | 2 | 4 | 0 | 56 | 318.442 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
