UCSF

ZINC54302378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 17 Yes

Other Names:

MFCD18006954

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) 1.96 6.13 -58.58 1 5 -1 72 241.311 4
Lo Low (pH 4.5-6) 1.96 4.13 -15.75 2 5 0 70 242.319 4

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% )