| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 18 | No |
Popular Name: 4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,5-dimethyl-3-thieny…
| 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) | 3.33 | 9.32 | -45.75 | 0 | 3 | -1 | 31 | 280.442 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 9.61 | -11.63 | 1 | 3 | 0 | 34 | 281.45 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
