UCSF

ZINC49581125

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 14 Yes

Popular Name: [(5-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]amine oxalate [(5-isopropyl-4,5,6,7-tetrahydro…

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CAS Numbers: , 1201633-49-9 , N/A , [1201633-49-9]

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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) 0.43 2.3 -101.34 5 4 2 61 196.298 2 ↓
Hi High (pH 8-9.5) 0.43 0 -51.08 4 4 1 60 195.29 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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