UCSF

ZINC95619115

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2014 26 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) 3.36 3.34 -80.54 6 6 2 92 365.518 9
Mid Mid (pH 6-8) 3.36 2.27 -42.35 5 6 1 91 364.51 9

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

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