| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 21 | Yes |
Popular Name: 3-[2-[(R)-amino(phenyl)methyl]-1H-imidazol-5-yl]benzonitrile 3-[2-[(R)-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 | 7.05 | -40.64 | 4 | 4 | 1 | 80 | 275.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 6.77 | -52.88 | 4 | 4 | 1 | 80 | 275.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 6.47 | -12.33 | 3 | 4 | 0 | 78 | 274.327 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.37 | -134.19 | 5 | 4 | 2 | 81 | 276.343 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
