In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 37 | 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) | 4.34 | 10.9 | -52.65 | 0 | 8 | -1 | 101 | 517.514 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.78 | 9.05 | -28.27 | 1 | 8 | 0 | 98 | 518.522 | 4 | ↓ |