UCSF

ZINC69236436

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 Yes

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) 2.07 7.24 -114.62 4 4 2 56 271.364 4
Hi High (pH 8-9.5) 2.07 5.22 -8.65 2 4 0 50 269.348 4
Mid Mid (pH 6-8) 2.07 6.5 -41.92 3 4 1 55 270.356 4

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.