In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 26 | Yes |
Popular Name: 2-[[4-allyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 2-[[4-allyl-5-(3,4-dimethylpheny…
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) | 3.82 | 10.52 | -17.16 | 1 | 6 | 0 | 73 | 385.518 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.01 | 9.29 | -47.97 | 0 | 6 | -1 | 79 | 384.51 | 7 | ↓ |