In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 23 | 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) | 3.59 | 5.78 | -11.78 | 2 | 4 | 0 | 54 | 327.384 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.59 | 6.07 | -33.48 | 3 | 4 | 1 | 55 | 328.392 | 1 | ↓ |