UCSF

ZINC49550455

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Substance Information

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

Popular Name: (7S)-1-(2-chlorophenyl)-5-oxo-7-(3-pyridyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic (7S)-1-(2-chlorophenyl)-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) 2.53 5.99 -70.48 1 6 -1 91 366.784 3 ↓
Ref Reference (pH 7) 2.34 8.62 -63.77 1 6 -1 87 366.784 3 ↓
Lo Low (pH 4.5-6) 2.53 6.49 -84.02 2 6 0 92 367.792 3 ↓
Lo Low (pH 4.5-6) 2.34 9.13 -76.83 2 6 0 88 367.792 3 ↓

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Rings

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

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