UCSF

ZINC36876337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 Yes

Other Names:

MFCD12105845

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) 0.69 3.56 -49.44 4 3 1 56 188.254 3
Lo Low (pH 4.5-6) 0.69 3.98 -108.36 5 3 2 58 189.262 3
Lo Low (pH 4.5-6) 0.69 3.97 -108.4 5 3 2 58 189.262 3

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% )