UCSF

ZINC70113548

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 22 Yes

Other Names:

MFCD18264502

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) 3.05 8.15 -44.25 1 5 -1 78 304.366 7
Lo Low (pH 4.5-6) 3.05 6.19 -8.51 2 5 0 76 305.374 7

Vendor Notes

Note Type Comments Provided By
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.