| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 3rd, 2011 | 21 | Yes |
Popular Name: (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(o-tolyl)ethanamine (1S)-N-[(1-methylbenzimidazol-2-…
| 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) | 3.52 | 8.67 | -8.66 | 1 | 3 | 0 | 30 | 279.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 9.1 | -28.16 | 2 | 3 | 1 | 31 | 280.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 9.8 | -45.7 | 2 | 3 | 1 | 34 | 280.395 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 10.22 | -114.26 | 3 | 3 | 2 | 36 | 281.403 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
