UCSF

ZINC54822241

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) 0.35 4.96 -75.8 4 4 2 46 222.336 3
Hi High (pH 8-9.5) 0.35 2.06 -6.94 2 4 0 44 220.32 3
Mid Mid (pH 6-8) 0.35 4.54 -35.66 3 4 1 45 221.328 3

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

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