In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 22 | 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) | -1.54 | 5.89 | -36.6 | 3 | 7 | 0 | 104 | 304.35 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.54 | 6.3 | -66.42 | 4 | 7 | 1 | 105 | 305.358 | 3 | ↓ |