In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 37 | 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) | 4.86 | 16.84 | -66.05 | 1 | 5 | 1 | 45 | 520.694 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.86 | 16.36 | -23.48 | 0 | 5 | 0 | 44 | 519.686 | 6 | ↓ |