In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 30 | Yes |
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) | 3.71 | 6.26 | -11.82 | 2 | 7 | 0 | 88 | 427.888 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.71 | 7.03 | -47.5 | 1 | 7 | -1 | 91 | 426.88 | 7 | ↓ |