In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 3rd, 2011 | 22 | Yes |
Popular Name: (2S)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)propan-1-one (2S)-2-[(4-phenyl-1,2,4-triazol-…
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) | 2.27 | 10.97 | -11.37 | 0 | 5 | 0 | 51 | 316.43 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.