In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2008 | 33 | 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) | 1.71 | 4.58 | -61.89 | 0 | 9 | -1 | 116 | 473.527 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 5.25 | -14.25 | 1 | 9 | 0 | 113 | 474.535 | 8 | ↓ |