UCSF

ZINC54698208

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -2.85 0.15 -50.71 4 5 1 79 197.262 4
Mid Mid (pH 6-8) -2.85 -0.18 -11 3 5 0 77 196.254 4

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

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