In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 20 | Yes |
Popular Name: 3-[[(3S)-3-hydroxy-1-piperidyl]methyl]-7-methyl-1H-quinolin-2-one 3-[[(3S)-3-hydroxy-1-piperidyl]m…
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) | 1.07 | 4.63 | -36.76 | 3 | 4 | 1 | 58 | 273.356 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.07 | 2.4 | -11.17 | 2 | 4 | 0 | 56 | 272.348 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.