UCSF

ZINC06858624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 18 Yes

Other Names:

MFCD07365056

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) 1.11 2.68 -17.46 3 5 0 88 263.322 2
Hi High (pH 8-9.5) 0.93 2.22 -53.25 2 5 -1 87 262.314 3
Lo Low (pH 4.5-6) 1.11 2.53 -58.99 4 5 1 90 264.33 2

Vendor Notes

Note Type Comments Provided By
MP 223 - 225 Enamine Building Blocks
MP 223...225 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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