In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 30 | 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) | 3.56 | 8.5 | -11.18 | 2 | 6 | 0 | 82 | 416.868 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.56 | 9.26 | -50.22 | 1 | 6 | -1 | 85 | 415.86 | 4 | ↓ |