In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 16 | 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) | 0.70 | 5.73 | -81.59 | 3 | 3 | 2 | 24 | 225.38 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.70 | 3.32 | -36.94 | 2 | 3 | 1 | 23 | 224.372 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 5.72 | -101.11 | 3 | 3 | 2 | 21 | 225.38 | 2 | ↓ |