UCSF

ZINC20281436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 Yes

Other Names:

MFCD08444802

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) 3.42 8.08 -13.53 2 4 0 53 279.343 3
Mid Mid (pH 6-8) 3.42 7.84 -57.23 3 4 1 55 280.351 3
Mid Mid (pH 6-8) 3.42 8.19 -27.16 3 4 1 54 280.351 3

Vendor Notes

Note Type Comments Provided By
MP 109 - 111 Enamine Building Blocks
MP 109...111 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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