UCSF

ZINC06755998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 8 No

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) 1.27 0.34 -5.54 3 3 0 59 116.164 3
Lo Low (pH 4.5-6) 1.27 0.28 -31.27 4 3 1 60 117.172 3
Lo Low (pH 4.5-6) 1.27 0.37 -30.97 4 3 1 60 117.172 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% )