In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 33 | 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) | 2.17 | 14.39 | -21.39 | 1 | 9 | 0 | 94 | 444.495 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 14.87 | -46.16 | 2 | 9 | 1 | 96 | 445.503 | 8 | ↓ |