UCSF

ZINC54898197

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 0.72 6.43 -89.13 4 4 2 48 296.484 2
Hi High (pH 8-9.5) 0.72 4.05 -5.76 2 4 0 45 294.468 2
Mid Mid (pH 6-8) 0.72 4.37 -44.44 3 4 1 47 295.476 2
Lo Low (pH 4.5-6) 0.72 6.83 -170.31 5 4 3 49 297.492 2

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

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