In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 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) | 1.82 | 4.97 | -60.81 | 0 | 9 | -1 | 105 | 455.487 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.82 | 7.3 | -79.42 | 1 | 9 | 0 | 106 | 456.495 | 9 | ↓ |