In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 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) | 3.09 | 9.03 | -50.86 | 2 | 9 | 1 | 99 | 513.611 | 13 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 9.73 | -58.7 | 1 | 9 | 1 | 96 | 513.611 | 13 | ↓ |