UCSF

ZINC49289423

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 No

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) 1.13 4.5 -48.41 1 7 -1 99 261.261 6
Mid Mid (pH 6-8) 0.95 6.26 -13.59 2 7 0 93 262.269 6
Mid Mid (pH 6-8) 0.95 6.14 -55.31 1 7 -1 91 261.261 6

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

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