UCSF

ZINC21060563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 17 Yes

Other Names:

MFCD11121421

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) 1.10 3.02 -35.93 3 4 1 43 236.339 3
Mid Mid (pH 6-8) 1.10 2.95 -35.83 3 4 1 43 236.339 3
Mid Mid (pH 6-8) 1.10 0.55 -4.59 2 4 0 42 235.331 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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