In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 29 | 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) | 4.98 | 7.78 | -44.22 | 1 | 7 | -1 | 96 | 430.941 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 9.34 | -14.57 | 2 | 7 | 0 | 93 | 431.949 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.52 | 9.2 | -15.42 | 2 | 7 | 0 | 93 | 431.949 | 5 | ↓ |