In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 12 | 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) | -0.13 | 2.74 | -44.06 | 2 | 3 | 1 | 44 | 168.264 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.13 | 4.99 | -122.92 | 3 | 3 | 2 | 45 | 169.272 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.13 | 3.66 | -42.6 | 2 | 3 | 1 | 40 | 168.264 | 4 | ↓ |