| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 21 | Yes |
Popular Name: 6-Benzothiazolol, 4,5,7-trimethyl-2-[(4-pyridinylmethyl)amino]- 6-Benzothiazolol, 4,5,7-trimethy…
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CAS Number: 145096-27-1
| 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) | 3.35 | 5.44 | -9.71 | 2 | 4 | 0 | 58 | 299.399 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 5.83 | -31.4 | 3 | 4 | 1 | 59 | 300.407 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 5.89 | -42.64 | 3 | 4 | 1 | 59 | 300.407 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 6.28 | -84.77 | 4 | 4 | 2 | 61 | 301.415 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0507318A1; EP0507318B1; US5300518; US5420144; US5635519 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.