UCSF

ZINC52396000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 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 -0.41 -41.58 2 6 1 67 241.315 5
Mid Mid (pH 6-8) -0.35 -2.69 -8.5 1 6 0 66 240.307 5
Mid Mid (pH 6-8) -0.35 -0.35 -38.3 2 6 1 67 241.315 5

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

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