In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2007 | 38 | 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) | 6.04 | 13.47 | -48.21 | 2 | 7 | 1 | 81 | 523.694 | 15 | ↓ |
Mid Mid (pH 6-8) | 5.46 | 14.14 | -56.79 | 1 | 7 | 1 | 77 | 523.694 | 15 | ↓ |