In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 20 | Yes |
Popular Name: 2-isopropyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-5-amine 2-isopropyl-1-[(4-methyl-1,2,4-t…
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) | 0.92 | 7.33 | -17.14 | 2 | 6 | 0 | 75 | 270.34 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 8.07 | -30.75 | 3 | 6 | 1 | 76 | 271.348 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.