UCSF

ZINC44264722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 Yes

Other Names:

MFCD16103757

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) 3.41 7.37 -14.63 1 3 0 42 274.121 1
Hi High (pH 8-9.5) 3.41 6.94 -44.81 0 3 -1 40 273.113 1
Lo Low (pH 4.5-6) 3.41 7.35 -27.62 2 3 1 43 275.129 1

Vendor Notes

Note Type Comments Provided By
MP 196 - 198 Enamine Building Blocks
MP 196...198 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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