In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 35 | 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) | 2.30 | 11.8 | -25.55 | 0 | 8 | 0 | 77 | 474.561 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 12.31 | -50.45 | 1 | 8 | 1 | 78 | 475.569 | 4 | ↓ |