In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2009 | 25 | Yes |
None
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) | 5.15 | 10.78 | -51.76 | 1 | 5 | -1 | 87 | 349.447 | 13 | ↓ |
Mid Mid (pH 6-8) | 5.15 | 11.63 | -104.17 | 0 | 5 | -2 | 89 | 348.439 | 13 | ↓ |
Lo Low (pH 4.5-6) | 5.15 | 9.66 | -14 | 2 | 5 | 0 | 84 | 350.455 | 13 | ↓ |