In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | 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) | 1.68 | 2.94 | -38.27 | 2 | 3 | 1 | 29 | 213.345 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 4.77 | -106.92 | 3 | 3 | 2 | 30 | 214.353 | 2 | ↓ |