In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 36 | 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) | 2.07 | 7.58 | -61.21 | 3 | 7 | 1 | 78 | 512.074 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.07 | 9.85 | -116.36 | 4 | 7 | 2 | 80 | 513.082 | 6 | ↓ |