UCSF

ZINC47844044

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 20 No

Other Names:

MFCD16040136

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) 3.56 6.5 -13.03 1 5 0 59 267.288 4
Ref Reference (pH 7) 2.74 6.4 -11.61 0 5 0 56 267.288 5
Mid Mid (pH 6-8) 3.56 6.94 -30.59 2 5 1 60 268.296 4
Mid Mid (pH 6-8) 3.56 6.62 -33.5 2 5 1 60 268.296 4
Mid Mid (pH 6-8) 2.74 6.84 -28.52 1 5 1 57 268.296 5

Vendor Notes

Note Type Comments Provided By
MP 197 - 199 Enamine Building Blocks
MP 197...199 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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