UCSF

ZINC37380829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 Yes

Other Names:

MFCD12068256

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) 2.92 9.12 -49.3 0 2 -1 40 211.24 2
Lo Low (pH 4.5-6) 2.92 7.06 -8.13 1 2 0 37 212.248 2

Vendor Notes

Note Type Comments Provided By
MP 116 - 118 Enamine Building Blocks
MP 116...118 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.