In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 19 | Yes |
Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-(1-ethylimidazol-2-yl)methanol (S)-(7-chloro-1,3-benzodioxol-5-…
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) | 1.89 | 4.42 | -37.07 | 2 | 5 | 1 | 58 | 281.719 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 3.86 | -9.84 | 1 | 5 | 0 | 57 | 280.711 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.