In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 38 | 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) | 2.46 | 7.27 | -16.83 | 1 | 9 | 0 | 90 | 530.662 | 14 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 9.4 | -56.65 | 2 | 9 | 1 | 91 | 531.67 | 14 | ↓ |