In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 21 | Yes |
Popular Name: 1-(3-chlorophenyl)-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-(3-chlorophenyl)-4-[[(3S)-3-me…
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) | 3.04 | 7.72 | -40.15 | 2 | 3 | 1 | 23 | 308.877 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 9.05 | -106.46 | 3 | 3 | 2 | 24 | 309.885 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.