In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 16 | 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) | -1.45 | 2.22 | -33.93 | 2 | 5 | 0 | 69 | 230.308 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.45 | 0.91 | -42.52 | 1 | 5 | -1 | 65 | 229.3 | 6 | ↓ |
Lo Low (pH 4.5-6) | -1.45 | 4.49 | -92.98 | 3 | 5 | 1 | 70 | 231.316 | 6 | ↓ |