In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2007 | 27 | 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) | 4.24 | -3.32 | -13.22 | 2 | 5 | 0 | 67 | 422.337 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.24 | -3.07 | -42.25 | 3 | 5 | 1 | 68 | 423.345 | 7 | ↓ |