| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: 3-[2-chloro-4-[(1R)-1-(methylamino)ethyl]phenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one 3-[2-chloro-4-[(1R)-1-(methylami…
| 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) | 2.28 | 5.85 | -52.53 | 3 | 5 | 1 | 67 | 299.807 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 4.67 | -9.08 | 2 | 5 | 0 | 63 | 298.799 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
