In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 19 | 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) | 2.32 | 4.65 | -13.88 | 1 | 5 | 0 | 67 | 247.261 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 4.21 | -49.4 | 0 | 5 | -1 | 66 | 246.253 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.32 | 4.92 | -41.41 | 2 | 5 | 1 | 69 | 248.269 | 1 | ↓ |