In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2009 | 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) | 4.21 | 9.62 | -17.59 | 2 | 7 | 0 | 74 | 499.036 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.21 | 11.89 | -62.26 | 3 | 7 | 1 | 75 | 500.044 | 7 | ↓ |