UCSF

ZINC67447186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 22 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) 0.80 4.67 -11.16 3 7 0 88 305.382 5
Mid Mid (pH 6-8) 0.80 4.38 -45.65 4 7 1 89 306.39 5

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

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