In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 26th, 2011 | 17 | Yes |
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) | 2.19 | 5.4 | -78.42 | 4 | 4 | 0 | 80 | 236.315 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 3.41 | -45.47 | 5 | 4 | 1 | 77 | 237.323 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 5.74 | -76.72 | 5 | 4 | 1 | 84 | 237.323 | 8 | ↓ |