In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 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) | 2.98 | 7.96 | -62.34 | 0 | 7 | -1 | 82 | 449.527 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 10.29 | -78.93 | 1 | 7 | 0 | 83 | 450.535 | 8 | ↓ |