In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 15 | 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) | -0.44 | 5.45 | -29.66 | 1 | 4 | 0 | 48 | 214.309 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.44 | 3.18 | -45.49 | 0 | 4 | -1 | 47 | 213.301 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.44 | 5.42 | -44.92 | 1 | 4 | 0 | 48 | 214.309 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.44 | 7.69 | -82.44 | 2 | 4 | 1 | 49 | 215.317 | 4 | ↓ |