UCSF

ZINC19901159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 15 Yes

Other Names:

MFCD11141086

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) 3.24 5.67 -36.18 2 2 1 20 215.405 8
Hi High (pH 8-9.5) 3.24 6.45 -28.02 2 2 1 16 215.405 8
Mid Mid (pH 6-8) 3.24 7.74 -105.47 3 2 2 21 216.413 8

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% )