UCSF

ZINC36964358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 Yes

Other Names:

MFCD11547558

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) 1.48 2.67 -10.45 3 5 0 77 243.266 3
Mid Mid (pH 6-8) 1.48 2.79 -29.46 4 5 1 78 244.274 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% )