| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 18 | Yes |
Popular Name: 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]propan-1-ol 3-[(2S)-2-[(3,5-dimethyl-1,2,4-t…
| 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) | 0.20 | 4.87 | -43.72 | 2 | 5 | 1 | 55 | 253.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 2.74 | -9.15 | 1 | 5 | 0 | 54 | 252.362 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
