UCSF

ZINC13718552

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 15 Yes

Other Names:

MFCD09688717

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) 2.50 6.84 -46.15 2 2 1 29 205.325 4
Lo Low (pH 4.5-6) 2.50 7.12 -103.24 3 2 2 31 206.333 4

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% )