In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 24 | Yes |
Popular Name: 3-[[1-(cyclohexylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile 3-[[1-(cyclohexylmethyl)-5-(hydr…
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) | 4.10 | 9.29 | -11.71 | 1 | 4 | 0 | 62 | 341.48 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.10 | 9.77 | -35.14 | 2 | 4 | 1 | 63 | 342.488 | 6 | ↓ |