In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 32 | 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) | 3.58 | 11.66 | -13.11 | 0 | 7 | 0 | 67 | 447.564 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 13.86 | -51.86 | 1 | 7 | 1 | 69 | 448.572 | 6 | ↓ |