In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 37 | 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) | 4.53 | 12.93 | -49.78 | 2 | 7 | 1 | 81 | 507.651 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.95 | 13.73 | -59.37 | 1 | 7 | 1 | 77 | 507.651 | 10 | ↓ |