UCSF

ZINC49543695

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 Yes

Popular Name: 5H-Indolo[2,1-c][1,4]benzodiazepine-6,12(5aH,7H)-dione 5H-Indolo[2,1-c][1,4]benzodiazep…

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CAS Numbers: , 1246040-90-3

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) 2.04 6.36 -12.28 1 4 0 49 264.284 0 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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