In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 22 | 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) | 1.57 | -0.71 | -44.75 | 3 | 7 | -1 | 118 | 318.334 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 0.4 | -17.01 | 4 | 7 | 0 | 115 | 319.342 | 2 | ↓ |