UCSF

ZINC49320227

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 1.25 5.69 -13.45 0 6 0 51 274.324 3
Mid Mid (pH 6-8) 1.25 7.89 -56.82 1 6 1 52 275.332 3
Lo Low (pH 4.5-6) 1.25 8.36 -120.44 2 6 2 53 276.34 3
Lo Low (pH 4.5-6) 1.25 6.17 -40.22 1 6 1 52 275.332 3

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

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