UCSF

ZINC57995844

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 26 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) 1.61 4.03 -17.99 2 7 0 93 372.45 6
Mid Mid (pH 6-8) 1.61 4.52 -41.64 3 7 1 94 373.458 6

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

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