UCSF

ZINC53660960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 0.41 3.67 -98.61 3 5 2 43 287.448 8
Hi High (pH 8-9.5) 0.41 1.44 -39.35 2 5 1 42 286.44 8
Hi High (pH 8-9.5) 0.41 2.32 -37.02 2 5 1 38 286.44 8
Lo Low (pH 4.5-6) 0.41 5.94 -187.06 4 5 3 44 288.456 8

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

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