UCSF

ZINC37593649

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 14 Yes

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

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CAS Number: 959245-12-6

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) 1.85 3.89 -15.64 1 4 0 55 210.62 2 ↓
Lo Low (pH 4.5-6) 1.85 4.35 -31.51 2 4 1 56 211.628 2 ↓

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