UCSF

ZINC40448456

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 11 Yes

Popular Name: 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine 4-Chloro-2-methyl-7H-pyrrolo[2,3…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 71149-52-5 , [71149-52-5]

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) 1.44 4 -8.18 1 3 0 42 167.599 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 199 - 201 Enamine Building Blocks
MP 199-201° Oakwood Chemical
MP 199...201 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0906016A1; US6103726 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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