UCSF

ZINC14401101

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2008 13 Yes

Popular Name: Methyl 1H-pyrrolo[3,2-b]pyridine-6-carboxylate Methyl 1H-pyrrolo[3,2-b]pyridine…

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CAS Numbers: 1015609-11-6 , [1015609-11-6]

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) 1.07 3.27 -9.9 1 4 0 55 176.175 2 ↓
Ref Reference (pH 7) 0.90 3.24 -11.21 0 4 0 52 176.175 2 ↓
Mid Mid (pH 6-8) 1.07 3.69 -32.41 2 4 1 56 177.183 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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