In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 12 | 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) | 1.07 | 5.35 | -87.45 | 4 | 3 | 2 | 47 | 169.272 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 4.89 | -36.23 | 3 | 3 | 1 | 45 | 168.264 | 5 | ↓ |