In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | 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) | 0.46 | 6.59 | -66.11 | 1 | 6 | 0 | 68 | 297.399 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.46 | 6.68 | -72.56 | 1 | 6 | 0 | 68 | 297.399 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.46 | 4.69 | -42.26 | 2 | 6 | 1 | 65 | 298.407 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.46 | 8.98 | -120.9 | 2 | 6 | 1 | 69 | 298.407 | 6 | ↓ |