In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2007 | 36 | 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) | 5.07 | 3.13 | -44.92 | 2 | 7 | 1 | 80 | 495.64 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.04 | 3.05 | -45.29 | 1 | 7 | 1 | 77 | 495.64 | 12 | ↓ |