UCSF

ZINC19433035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 11 Yes

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) -0.03 1.75 -91.31 5 3 2 54 153.229 4
Mid Mid (pH 6-8) -0.03 1.28 -48.62 4 3 1 53 152.221 4

Vendor Notes

Note Type Comments Provided By
MP 54 - 55 Enamine Building Blocks
MP 54...55 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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