| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 21 | Yes |
Popular Name: 3-[2-[(S)-amino(phenyl)methyl]-1H-imidazol-5-yl]benzonitrile 3-[2-[(S)-amino(phenyl)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) | 2.40 | 7.06 | -38.65 | 4 | 4 | 1 | 80 | 275.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 7.04 | -60.93 | 4 | 4 | 1 | 80 | 275.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 6.71 | -13.44 | 3 | 4 | 0 | 78 | 274.327 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.39 | -133.69 | 5 | 4 | 2 | 81 | 276.343 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
