In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2010 | 28 | 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) | 4.94 | 10.81 | -55.15 | 2 | 5 | 1 | 50 | 480.477 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.94 | 8.59 | -11.77 | 1 | 5 | 0 | 48 | 479.469 | 5 | ↓ |