In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 26 | Yes |
Popular Name: 1-[6-[(3S,4S)-3-hydroxy-4-(2-naphthyl)-1-piperidyl]-3-pyridyl]ethanone 1-[6-[(3S,4S)-3-hydroxy-4-(2-nap…
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) | 3.78 | 9.16 | -11.33 | 1 | 4 | 0 | 53 | 346.43 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.78 | 9.55 | -40.5 | 2 | 4 | 1 | 55 | 347.438 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.