| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: 2-[[4-[4-(diethylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[4-(diethylamino)phenyl]-1…
| 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) | 1.75 | 11.12 | -48.44 | 0 | 6 | -1 | 74 | 305.383 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 11.23 | -68.57 | 1 | 6 | 0 | 75 | 306.391 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
