In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 35 | No |
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) | 0.09 | 6.05 | -69.16 | 3 | 9 | 1 | 104 | 499.558 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.09 | 6.18 | -107.88 | 4 | 9 | 2 | 105 | 500.566 | 6 | ↓ |