| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 14 | No |
Popular Name: Benzothiazol-2-yl-[(E)-hydroxyimino]-acetonitrile Benzothiazol-2-yl-[(E)-hydroxyim…
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CAS Number: 75407-99-7
| 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) | 1.48 | 3.16 | -44.42 | 0 | 4 | -1 | 72 | 202.218 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 2.14 | -9.37 | 1 | 4 | 0 | 69 | 203.226 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 2.21 | -9.1 | 1 | 4 | 0 | 69 | 203.226 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.