In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 39 | 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) | 4.69 | 15.25 | -76.82 | 1 | 9 | 0 | 120 | 529.593 | 11 | ↓ |
Mid Mid (pH 6-8) | 5.14 | 15.49 | -54.18 | 2 | 9 | 1 | 117 | 530.601 | 10 | ↓ |