UCSF

ZINC66055227

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 13 Yes

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

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CAS Number: 853685-78-6

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) 1.14 3.76 -37.74 2 4 1 56 177.183 2 ↓
Mid Mid (pH 6-8) 1.14 3.29 -6.78 1 4 0 55 176.175 2 ↓

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

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