| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 17 | Yes |
Popular Name: (3S)-4-(cyclohexylmethyl)-3-(dimethylaminomethyl)-3H-1,2,4-triazol-5-one (3S)-4-(cyclohexylmethyl)-3-(dim…
| 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) | 1.30 | 4.11 | -9.61 | 1 | 5 | 0 | 54 | 238.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 6.57 | -51.11 | 2 | 5 | 1 | 55 | 239.343 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
