UCSF

ZINC19952594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 12 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) 0.16 0.1 -25.86 4 4 1 64 168.22 3
Mid Mid (pH 6-8) 0.16 -0.42 -7.36 3 4 0 62 167.212 3

Vendor Notes

Note Type Comments Provided By
MP 82 - 84 Enamine Building Blocks
MP 82...84 Enamine Building Blocks
MP 84 - 86 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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