UCSF

ZINC19401252

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 10 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) 1.72 2.97 -5.49 3 2 0 38 140.161 1
Lo Low (pH 4.5-6) 1.72 2.79 -52.91 4 2 1 40 141.169 1

Vendor Notes

Note Type Comments Provided By
MP 203 - 205 Enamine Building Blocks
MP 203...205 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.