UCSF

ZINC01384258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 Yes

Popular Name: 2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one 2,3-dimethoxy-5,6,13,13a-tetrahy…

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CAS Number: 685106-52-9

Other Names:

MFCD03617316

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) 0.44 -0.96 -10.79 0 6 0 64 311.341 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 228 - 230 KeyOrganics

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Rings

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

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