In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 34 | 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) | 4.82 | 12.97 | -79.2 | 1 | 6 | 0 | 74 | 464.606 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.23 | 2.73 | -46.12 | 1 | 6 | 1 | 68 | 465.614 | 9 | ↓ |