UCSF

ZINC49543169

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Substance Information

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

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

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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) 3.22 6.35 -72.22 1 7 -1 96 391.403 5 ↓
Ref Reference (pH 7) 3.04 9.01 -64.9 1 7 -1 93 391.403 5 ↓
Lo Low (pH 4.5-6) 3.22 7.42 -54.37 2 7 0 98 392.411 5 ↓

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

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