In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 32 | 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) | 5.73 | 12.21 | -11.74 | 1 | 4 | 0 | 45 | 440.547 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.73 | 13.89 | -47.04 | 2 | 4 | 1 | 46 | 441.555 | 4 | ↓ |