In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2007 | 33 | 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) | 5.17 | 12.63 | -50.97 | 0 | 6 | -1 | 86 | 461.494 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.58 | 0.3 | -16.36 | 0 | 6 | 0 | 80 | 462.502 | 5 | ↓ |