| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 17 | Yes |
Popular Name: 1-Butyl-2-methyl-1,3-benzodiazole-5-carboxylic acid 1-Butyl-2-methyl-1,3-benzodiazol…
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CAS Numbers: 1152495-95-8 , [1152495-95-8]
| 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) | 2.91 | 8.59 | -56.54 | 0 | 4 | -1 | 58 | 231.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | 9.03 | -54.31 | 1 | 4 | 0 | 59 | 232.283 | 4 | ↓ |
