In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 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) | 2.83 | 7.32 | -59.25 | 0 | 7 | -1 | 82 | 455.556 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 9.65 | -77.22 | 1 | 7 | 0 | 83 | 456.564 | 9 | ↓ |