| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 18 | No |
Popular Name: 4-[4-(diethylamino)phenyl]-3-sulfanyl-1H-1,2,4-triazol-5-one 4-[4-(diethylamino)phenyl]-3-sul…
None
| 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) | 1.95 | 7 | -39.69 | 1 | 5 | -1 | 54 | 263.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 7.11 | -49.44 | 2 | 5 | 0 | 55 | 264.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 7.1 | -34.73 | 3 | 5 | 0 | 58 | 265.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 7.01 | -11.75 | 2 | 5 | 0 | 57 | 264.354 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
