UCSF

ZINC36379947

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 15 Yes

Other Names:

MFCD12913264

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) 1.50 5.57 -93.7 4 3 2 45 207.321 2
Hi High (pH 8-9.5) 1.50 5.13 -47.26 3 3 1 44 206.313 2
Hi High (pH 8-9.5) 1.50 5.2 -22.15 3 3 1 43 206.313 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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