In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 29 | Yes |
None
None
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) | 2.98 | 9.73 | -43.03 | 4 | 8 | 1 | 98 | 394.455 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 9.22 | -19.36 | 3 | 8 | 0 | 96 | 393.447 | 3 | ↓ |