In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 32 | 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) | 1.63 | 5.43 | -23.53 | 1 | 8 | 0 | 80 | 465.616 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 7.77 | -64.89 | 2 | 8 | 1 | 82 | 466.624 | 9 | ↓ |