UCSF

ZINC67725656

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 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) 2.05 9.1 -79.87 4 5 2 63 275.4 5
Hi High (pH 8-9.5) 2.05 6.37 -10.18 2 5 0 61 273.384 5
Hi High (pH 8-9.5) 2.05 7.33 -37.61 3 5 1 62 274.392 5
Mid Mid (pH 6-8) 2.05 7.21 -35.6 3 5 1 62 274.392 5

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

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