UCSF

ZINC01384270

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Popular Name: 11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one 11-amino-2,3-dimethoxy-5,6,13,13…

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CAS Number: 685106-53-0

Other Names:

MFCD03617317

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) 0.24 5.46 -13.05 2 7 0 91 326.356 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.