UCSF

ZINC42036593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

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) 0.54 6.07 -79.76 5 4 2 66 242.326 3
Hi High (pH 8-9.5) 1.37 5.65 -30.52 4 4 1 65 241.318 3
Hi High (pH 8-9.5) 1.37 5.95 -28.57 4 4 1 65 241.318 3
Mid Mid (pH 6-8) 1.37 6.04 -81.86 5 4 2 66 242.326 3

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

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