In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 17 | Yes |
Popular Name: 2-(6-chloro-3-pyridinyl)-1-methyl-1H-1,3-benzimidazole 2-(6-chloro-3-pyridinyl)-1-methy…
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CAS Number: 337920-52-2
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) | 3.56 | 7.02 | -11 | 0 | 3 | 0 | 31 | 243.697 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 7.4 | -29.61 | 1 | 3 | 1 | 32 | 244.705 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 182 - 184 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.