UCSF

ZINC65540404

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 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) -0.47 4.03 -37.63 1 7 1 66 248.314 4
Hi High (pH 8-9.5) -0.47 3.57 -19.8 0 7 0 65 247.306 4
Hi High (pH 8-9.5) -0.47 5.86 -62.62 1 7 1 66 248.314 4

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

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