UCSF

ZINC17142968

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 23 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) -0.20 8.74 -42.95 2 10 -1 153 320.285 6
Mid Mid (pH 6-8) -1.46 7.46 -13.8 3 10 0 151 321.293 6
Mid Mid (pH 6-8) -2.22 8.84 -10.49 2 10 0 147 321.293 7

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

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