UCSF

ZINC22996529

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 13 No

Popular Name: 5-methyl-1,7-dihydro-2H-pyrido[3,2-d][1,2]diazepin-2-one 5-methyl-1,7-dihydro-2H-pyrido[3…

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CAS Number: 1092344-97-2

Other Names:

MFCD11501765

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) 0.61 1.99 -11.83 2 4 0 62 175.191 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 248 - 251 KeyOrganics

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Rings

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

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