In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 34 | No |
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) | 1.98 | 5.77 | -59.05 | 0 | 9 | -1 | 116 | 487.554 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 5.72 | -18.11 | 1 | 9 | 0 | 113 | 488.562 | 9 | ↓ |