UCSF

ZINC37992499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 Yes

Other Names:

MFCD12153931

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) 0.44 5.95 -45.53 3 2 1 41 213.304 3
Hi High (pH 8-9.5) 0.44 5.65 -4.81 2 2 0 39 212.296 3
Lo Low (pH 4.5-6) 0.44 6.42 -108.77 4 2 2 42 214.312 3

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% )