In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 27 | Yes |
Popular Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-[2-(7-methyl-1H-benzimidazol-2-yl)ethyl]benzamide 3-(3-hydroxy-3-methyl-but-1-ynyl…
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) | 3.29 | 6.94 | -20.99 | 3 | 5 | 0 | 78 | 361.445 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 7.36 | -45.07 | 4 | 5 | 1 | 79 | 362.453 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.