UCSF

ZINC71554794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.30 6.71 -18.7 1 6 0 63 341.44 3
Mid Mid (pH 6-8) 2.30 9.44 -56.12 2 6 1 64 342.448 3
Lo Low (pH 4.5-6) 2.30 9.72 -81.31 3 6 2 65 343.456 3

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

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