UCSF

ZINC49543285

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 Yes

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

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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) 2.10 4.51 -70.51 1 8 -1 109 392.391 5 ↓
Ref Reference (pH 7) 1.91 7.16 -62.92 1 8 -1 106 392.391 5 ↓
Lo Low (pH 4.5-6) 2.10 4.97 -91.81 2 8 0 110 393.399 5 ↓
Lo Low (pH 4.5-6) 1.91 7.63 -83.55 2 8 0 107 393.399 5 ↓

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Rings

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

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