In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 20 | 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) | 3.19 | 7.3 | -31.39 | 2 | 3 | 1 | 39 | 295.472 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 5.82 | -3.84 | 1 | 3 | 0 | 34 | 294.464 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 7.51 | -85.24 | 3 | 3 | 2 | 40 | 296.48 | 6 | ↓ |