In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 21 | 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) | 5.09 | 12.3 | -110.1 | 2 | 2 | 2 | 9 | 294.527 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.09 | 10.08 | -30.59 | 1 | 2 | 1 | 8 | 293.519 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.09 | 10.38 | -32.48 | 1 | 2 | 1 | 8 | 293.519 | 5 | ↓ |