In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 28th, 2011 | 27 | No |
Popular Name: N'-(3,3-dimethylbutanoyl)-1-(5-isoquinolyl)-5-methyl-triazole-4-carbohydrazide N'-(3,3-dimethylbutanoyl)-1-(5-i…
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) | 2.11 | 5.76 | -15.64 | 2 | 8 | 0 | 102 | 366.425 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 6.23 | -46.84 | 3 | 8 | 1 | 103 | 367.433 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.