UCSF

ZINC19167373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 6 No

CAS Numbers: 3530-11-8 , 56795-65-4

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) 0.09 0.35 -38.72 4 2 1 40 89.162 3
Hi High (pH 8-9.5) 0.09 0.54 -1.21 3 2 0 38 88.154 3
Hi High (pH 8-9.5) 0.09 1.06 -34.94 4 2 1 43 89.162 3

Vendor Notes

Note Type Comments Provided By
MP 154 - 158 Enamine Building Blocks
MP 154...158 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.