UCSF

ZINC61454996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 Yes

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) 2.44 7.46 -104.33 4 3 2 41 278.44 7
Hi High (pH 8-9.5) 2.44 4.82 -2.67 2 3 0 38 276.424 7
Mid Mid (pH 6-8) 2.44 7.03 -30.28 3 3 1 40 277.432 7
Mid Mid (pH 6-8) 2.44 5.29 -33.66 3 3 1 40 277.432 7

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

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