| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2005 | 21 | Yes |
Popular Name: 4-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile 4-[[1-(2-cyanoethyl)-5-(hydroxym…
| 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) | 1.30 | 7.02 | -15 | 1 | 5 | 0 | 86 | 298.371 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 7.48 | -47.36 | 2 | 5 | 1 | 87 | 299.379 | 6 | ↓ |
