UCSF

ZINC04218823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 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) 2.27 2.96 -4.56 3 3 0 59 194.278 1
Ref Reference (pH 7) 2.27 3.04 -4.66 3 3 0 59 194.278 1
Lo Low (pH 4.5-6) 2.27 2.99 -30.03 4 3 1 60 195.286 1
Lo Low (pH 4.5-6) 2.27 2.92 -32.16 4 3 1 60 195.286 1

Vendor Notes

Note Type Comments Provided By
MP 152 - 154 Enamine Building Blocks
MP 152...154 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.