UCSF

ZINC21960656

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 Yes

Other Names:

MFCD09045114

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) 2.29 5.28 -31.93 2 1 1 17 172.198 2
Hi High (pH 8-9.5) 2.29 4.12 -3.42 1 1 0 12 171.19 2

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% )