UCSF

ZINC13415687

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 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) 1.26 1.23 -64.65 1 10 -1 151 373.326 5
Mid Mid (pH 6-8) 1.71 -1.23 -127.57 0 10 -2 154 372.318 5

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

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