UCSF

ZINC68912109

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 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) -0.65 6.65 -74.67 4 4 1 72 227.328 5
Hi High (pH 8-9.5) -0.65 4.36 -34.91 3 4 0 71 226.32 5
Mid Mid (pH 6-8) -0.65 6.66 -33.84 3 4 0 71 226.32 5

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

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