UCSF

ZINC52419738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 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) 0.62 4.11 -81.49 3 4 2 37 270.446 5
Hi High (pH 8-9.5) 0.62 2.66 -36.31 2 4 1 33 269.438 5
Mid Mid (pH 6-8) 0.62 6.64 -166.33 4 4 3 38 271.454 5

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

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