In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2010 | 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) | 3.85 | 10.54 | -48.16 | 0 | 3 | -1 | 49 | 287.31 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.85 | 8.52 | -9.88 | 1 | 3 | 0 | 47 | 288.318 | 7 | ↓ |