UCSF

ZINC49374682

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) 1.75 7.77 -54.87 0 6 -1 70 277.329 5
Mid Mid (pH 6-8) 1.02 7.72 -15.39 1 6 0 73 278.337 5

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

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