UCSF

ZINC52839224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.43 7.84 -11.17 4 4 0 70 284.75 2
Mid Mid (pH 6-8) 3.43 8.12 -27.74 5 4 1 71 285.758 2

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

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