| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 20 | Yes |
Popular Name: 1-[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]isoxazol-3-yl]-N-methyl-methanamine 1-[5-[(5,6-dimethylbenzimidazol-…
| 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) | 2.42 | 7.99 | -53.39 | 2 | 5 | 1 | 60 | 271.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 6.53 | -15.19 | 1 | 5 | 0 | 56 | 270.336 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 8.46 | -98.55 | 3 | 5 | 2 | 62 | 272.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
