| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 19 | Yes |
Popular Name: 2-(azepan-1-ylmethyl)-1-methyl-1H-benzimidazol-5-amine 2-(azepan-1-ylmethyl)-1-methyl-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) | 1.87 | 7.13 | -40.38 | 3 | 4 | 1 | 48 | 259.377 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 5.61 | -25.31 | 3 | 4 | 1 | 48 | 259.377 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 5.25 | -8.72 | 2 | 4 | 0 | 47 | 258.369 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 7.55 | -101.72 | 4 | 4 | 2 | 50 | 260.385 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
