In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 8th, 2011 | 19 | No |
Popular Name: 2-[(4R)-2-methyl-3,4-dihydropyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)thiazole-4-carboxamide 2-[(4R)-2-methyl-3,4-dihydropyra…
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) | -0.79 | 3.79 | -48.5 | 1 | 8 | -1 | 97 | 276.305 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.79 | 3.98 | -15.91 | 2 | 8 | 0 | 99 | 277.313 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.