In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 33 | 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) | 2.39 | 7.05 | -65.12 | 1 | 7 | -1 | 93 | 447.511 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 9.37 | -82.99 | 2 | 7 | 0 | 94 | 448.519 | 8 | ↓ |