In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 30 | No |
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) | 5.77 | 11.98 | -9.65 | 1 | 5 | 0 | 56 | 405.542 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.77 | 12.55 | -32.41 | 2 | 5 | 1 | 57 | 406.55 | 9 | ↓ |