In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2010 | 34 | 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) | 6.64 | 9.73 | -16.32 | 1 | 7 | 0 | 90 | 516.044 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.64 | 9.74 | -59.11 | 0 | 7 | -1 | 92 | 515.036 | 7 | ↓ |