| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 21 | Yes |
Popular Name: (3S)-4-(5-chloro-2-methyl-phenyl)-3-[(3S)-1-methyl-3-piperidyl]-3H-1,2,4-triazol-5-one (3S)-4-(5-chloro-2-methyl-phenyl…
| 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) | 2.36 | 9.12 | -45.52 | 2 | 5 | 1 | 55 | 307.805 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 6.62 | -8 | 1 | 5 | 0 | 54 | 306.797 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
