UCSF

ZINC49549764

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 26 Yes

Popular Name: (7S)-1-(4-fluorophenyl)-5-oxo-7-(4-pyridyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic (7S)-1-(4-fluorophenyl)-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) 1.80 6.05 -63.97 1 6 -1 91 350.329 3 ↓
Ref Reference (pH 7) 1.61 8.7 -57.25 1 6 -1 87 350.329 3 ↓
Lo Low (pH 4.5-6) 1.80 6.51 -80.47 2 6 0 92 351.337 3 ↓
Lo Low (pH 4.5-6) 1.61 9.16 -73.24 2 6 0 88 351.337 3 ↓

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Rings

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

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