UCSF

ZINC49772148

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 26 Yes

Popular Name: 1-(3,4-dimethoxyphenethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile 1-(3,4-dimethoxyphenethyl)-6-[2-…

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CAS Number: 303148-47-2

Other Names:

MFCD00663800

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) 1.35 7.72 -30.86 0 7 0 80 354.41 7 ↓
Mid Mid (pH 6-8) 1.35 7.95 -30.55 0 7 0 80 354.41 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 90 - 100 KeyOrganics

Activity (Go SEA)

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

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