In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 35 | 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) | 3.66 | 6.09 | -15.26 | 2 | 9 | 0 | 106 | 501.967 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 6.86 | -51.05 | 1 | 9 | -1 | 109 | 500.959 | 9 | ↓ |