UCSF

ZINC00138987

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1H-1,5-benzodiazepine-2,4(3H,5H)-dione 1H-1,5-benzodiazepine-2,4(3H,5H)…

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CAS Number: 49799-48-6

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) 0.38 1.11 -10.71 2 4 0 58 176.175 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 383 - 385 Enamine Building Blocks
MP 383...385 Enamine Building Blocks
melting_point 390 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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