In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 15 | 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) | 0.92 | 6.66 | -45.75 | 3 | 2 | 1 | 30 | 221.349 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 4.33 | -11.01 | 2 | 2 | 0 | 29 | 220.341 | 3 | ↓ |