UCSF

ZINC35500464

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 No

Popular Name: N-(azepan-2-ylideneamino)-6-(2,4-dichloro-5-fluoro-phenyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-ca N-(azepan-2-ylideneamino)-6-(2,4…

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Physical Representations

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) 3.68 10.19 -9.29 3 7 0 84 463.344 4 ↓
Lo Low (pH 4.5-6) 3.68 10.37 -49.49 4 7 1 88 464.352 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.