UCSF

ZINC39330263

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 Yes

Popular Name: 1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one 1,2,3,4-tetrahydropyrrolo[3,4-b]…

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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) 0.23 2.07 -15.19 2 3 0 45 186.214 0 ↓
Mid Mid (pH 6-8) 0.23 3.57 -56.21 3 3 1 49 187.222 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4235907 IBM Patent Data

Activity (Go SEA)

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