| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 19 | Yes |
Popular Name: [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]isoxazol-3-yl]methanamine [5-[(5,6-dimethylbenzimidazol-1-…
| 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) | 2.04 | 6.11 | -58.99 | 3 | 5 | 1 | 72 | 257.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.71 | -13.97 | 2 | 5 | 0 | 70 | 256.309 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 6.59 | -103.71 | 4 | 5 | 2 | 73 | 258.325 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
