UCSF

ZINC31996486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

Other Names:

MFCD11641073

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) 1.75 2.09 -42.5 3 2 1 31 183.319 1
Lo Low (pH 4.5-6) 1.75 4.65 -112.28 4 2 2 32 184.327 1

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% )