In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2008 | 28 | 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) | 4.72 | 8.87 | -11.19 | 0 | 5 | 0 | 47 | 377.488 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.72 | 11.2 | -44.24 | 1 | 5 | 1 | 48 | 378.496 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.72 | 10.91 | -45.94 | 1 | 5 | 1 | 48 | 378.496 | 3 | ↓ |