UCSF

ZINC20441133

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 8 Yes

Popular Name: 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole dihydrochloride 1,4,5,6-Tetrahydropyrrolo[3,4-c]…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1117915-55-5 , 157327-47-4 , 6573-19-9 , 769895-06-9 , [157327-47-4] , [769895-06-9]

Download: MOL2 SDF SMILES Flexibase

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) -0.32 0.27 -43.73 3 3 1 45 110.14 0 ↓
Hi High (pH 8-9.5) -0.32 -1.29 -7.06 2 3 0 41 109.132 0 ↓
Hi High (pH 8-9.5) -0.32 -1.21 -6.7 2 3 0 41 109.132 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5281603 IBM Patent Data

Activity (Go SEA)

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

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