In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 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) | 4.44 | 11.89 | -49.26 | 2 | 8 | 1 | 90 | 511.639 | 13 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 12.6 | -50.35 | 1 | 8 | 1 | 87 | 511.639 | 14 | ↓ |