UCSF

ZINC34939702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 10 Yes

Other Names:

MFCD10694547

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) 1.12 2.46 -5.73 3 3 0 55 137.186 1
Mid Mid (pH 6-8) 1.12 2.48 -5.21 3 3 0 55 137.186 1
Lo Low (pH 4.5-6) 1.12 2.58 -26.14 4 3 1 56 138.194 1

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% )