| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2006 | 28 | No |
Popular Name: 2-benzothiazol-2-yl-4-(1-cyclohexyliminoethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one 2-benzothiazol-2-yl-4-(1-cyclohe…
| 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) | 5.80 | 7.17 | -10.31 | 1 | 5 | 0 | 63 | 408.449 | 4 | ↓ |
| Ref Reference (pH 7) | 5.34 | 9.03 | -15.22 | 1 | 5 | 0 | 63 | 408.449 | 4 | ↓ |
| Ref Reference (pH 7) | 5.28 | 10.22 | -16.07 | 1 | 5 | 0 | 60 | 408.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.80 | 7.72 | -49.47 | 0 | 5 | -1 | 66 | 407.441 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.80 | 6.93 | -9.51 | 1 | 5 | 0 | 63 | 408.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.34 | 8.9 | -13.76 | 1 | 5 | 0 | 63 | 408.449 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.80 | 7.82 | -33.91 | 2 | 5 | 1 | 65 | 409.457 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.80 | 8.05 | -34.13 | 2 | 5 | 1 | 65 | 409.457 | 4 | ↓ |
