UCSF

ZINC20145794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 1.95 6 -34.93 3 4 1 46 280.367 5
Hi High (pH 8-9.5) 1.95 4.17 -4.46 2 4 0 44 279.359 5
Mid Mid (pH 6-8) 1.95 3.74 -40.02 3 4 1 49 280.367 5
Mid Mid (pH 6-8) 1.95 5.92 -128.01 4 4 2 50 281.375 5

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