In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2010 | 33 | 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) | 2.79 | 8.98 | -15.03 | 1 | 8 | 0 | 82 | 467.595 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 11.25 | -50.59 | 2 | 8 | 1 | 83 | 468.603 | 10 | ↓ |