UCSF

ZINC49352549

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) 0.30 1.96 -9.72 3 6 0 91 262.244 2
Mid Mid (pH 6-8) 0.75 -0.58 -46.93 2 6 -1 94 261.236 2
Lo Low (pH 4.5-6) 0.75 0.51 -24.63 3 6 0 95 262.244 2

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

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