In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 34 | 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) | 2.39 | 7.19 | -16.2 | 0 | 6 | 0 | 45 | 477.527 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 9.44 | -53.36 | 1 | 6 | 1 | 46 | 478.535 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 11.72 | -105.83 | 2 | 6 | 2 | 48 | 479.543 | 8 | ↓ |