In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 33 | Yes |
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) | 4.73 | 11.01 | -13.04 | 0 | 6 | 0 | 49 | 449.595 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.73 | 11.86 | -31.98 | 1 | 6 | 1 | 50 | 450.603 | 10 | ↓ |