In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 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) | 4.75 | 10.56 | -50.46 | 1 | 8 | -1 | 100 | 508.583 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.75 | 11 | -22.14 | 2 | 8 | 0 | 98 | 509.591 | 7 | ↓ |