In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 31 | 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) | 6.54 | 10.11 | -15.05 | 2 | 5 | 0 | 71 | 450.947 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.54 | 9.45 | -48.45 | 1 | 5 | -1 | 74 | 449.939 | 6 | ↓ |