In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2011 | 21 | 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) | 1.42 | 2.69 | -49.91 | 4 | 4 | 1 | 56 | 286.399 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 5.02 | -115.64 | 5 | 4 | 2 | 57 | 287.407 | 2 | ↓ |