UCSF

ZINC36876345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 Yes

Other Names:

MFCD12105851

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) 0.97 3.6 -44.47 3 3 1 45 220.218 2
Hi High (pH 8-9.5) 0.97 3.04 -44.71 2 3 0 44 219.21 2

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.