In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 20 | 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) | 3.70 | 6.94 | -9.5 | 0 | 4 | 0 | 48 | 269.3 | 5 | ↓ |
Ref Reference (pH 7) | 3.70 | 7.72 | -8.96 | 0 | 4 | 0 | 48 | 269.3 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.70 | 7.37 | -43.88 | 1 | 4 | 1 | 50 | 270.308 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.70 | 8.07 | -41.19 | 1 | 4 | 1 | 50 | 270.308 | 5 | ↓ |