In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 36 | No |
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) | 1.59 | 5.23 | -64.12 | 0 | 10 | -1 | 126 | 517.58 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 4.59 | -15.39 | 1 | 10 | 0 | 123 | 518.588 | 10 | ↓ |