In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 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) | 3.33 | 9.21 | -70.09 | 2 | 8 | 0 | 104 | 482.577 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 8.46 | -46.39 | 3 | 8 | 1 | 101 | 483.585 | 12 | ↓ |