UCSF

ZINC66202260

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 30 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) 4.85 14.01 -121.65 2 4 2 27 424.972 7
Hi High (pH 8-9.5) 4.85 9.96 -5.73 0 4 0 25 422.956 7
Mid Mid (pH 6-8) 4.85 12.35 -35.32 1 4 1 26 423.964 7

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

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