In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 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) | 5.93 | 15.54 | -10.67 | 0 | 5 | 0 | 54 | 445.485 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.93 | 16.75 | -64.41 | 1 | 5 | 1 | 55 | 446.493 | 10 | ↓ |