UCSF

ZINC19432384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 No

Other Names:

MFCD09931427

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) 0.77 2.71 -34.1 4 5 1 80 244.274 5
Ref Reference (pH 7) 0.64 2.88 -11.48 3 5 0 81 243.266 4
Lo Low (pH 4.5-6) 0.64 3.13 -40.43 4 5 1 82 244.274 4
Lo Low (pH 4.5-6) 0.77 3.18 -75.85 5 5 2 81 245.282 5

Vendor Notes

Note Type Comments Provided By
MP 127 - 129 Enamine Building Blocks
MP 127...129 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.