UCSF

ZINC49543108

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 27 Yes

Popular Name: (7S)-1-(3-methoxyphenyl)-5-oxo-7-(4-pyridyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic (7S)-1-(3-methoxyphenyl)-5-oxo-7…

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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) 1.88 5.27 -69.76 1 7 -1 100 362.365 4 ↓
Ref Reference (pH 7) 1.69 7.92 -62.2 1 7 -1 96 362.365 4 ↓
Lo Low (pH 4.5-6) 1.88 5.73 -84.44 2 7 0 101 363.373 4 ↓
Lo Low (pH 4.5-6) 1.69 8.39 -76.43 2 7 0 98 363.373 4 ↓

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Rings

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

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