In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | 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) | 3.88 | 8.66 | -53.61 | 1 | 4 | -1 | 69 | 282.404 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.88 | 6.68 | -11.31 | 2 | 4 | 0 | 66 | 283.412 | 9 | ↓ |