In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2008 | 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) | 4.23 | 9.34 | -11.33 | 1 | 5 | 0 | 47 | 459.924 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.23 | 11.62 | -47.3 | 2 | 5 | 1 | 48 | 460.932 | 6 | ↓ |