UCSF

ZINC36873297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 Yes

Other Names:

MFCD12105403

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) 1.74 4.59 -40.73 3 3 1 48 213.345 5
Hi High (pH 8-9.5) 1.74 4.47 -6.2 2 3 0 46 212.337 5

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% )