In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 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) | 2.52 | 10.28 | -54.01 | 0 | 8 | -1 | 101 | 473.505 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 8.98 | -23.31 | 1 | 8 | 0 | 98 | 474.513 | 9 | ↓ |