UCSF

ZINC40442643

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 10 Yes

Popular Name: 1H-pyrrolo[2,3-c]pyridin-7-amine 1H-pyrrolo[2,3-c]pyridin-7-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 165669-36-3 , [165669-36-3]

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) 0.67 2.01 -28.56 4 3 1 56 134.162 0 ↓
Hi High (pH 8-9.5) 0.67 1.52 -7.88 3 3 0 55 133.154 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000059902A2 IBM Patent Data

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Rings

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

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