UCSF

ZINC20213435

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 12 Yes

Other Names:

MFCD11167873

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) -0.71 -3.36 -58.42 3 6 -1 116 189.172 2
Hi High (pH 8-9.5) -0.71 -2.69 -100.37 2 6 -2 114 188.164 2

Vendor Notes

Note Type Comments Provided By
MP 229 - 231 Enamine Building Blocks
MP 229...231 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.