In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 26 | Yes |
Popular Name: N-(2-ethyltriazol-4-yl)-3-[[(2S)-2-(2-hydroxyethyl)-1-piperidyl]methyl]benzamide N-(2-ethyltriazol-4-yl)-3-[[(2S)…
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) | 1.56 | 5.91 | -43.48 | 3 | 7 | 1 | 84 | 358.466 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 3.8 | -12.16 | 2 | 7 | 0 | 83 | 357.458 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.