UCSF

ZINC16940346

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 19 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) -0.41 -7.05 -16.65 5 8 0 134 266.257 2
Lo Low (pH 4.5-6) -1.09 -6.52 -33.03 7 8 1 139 267.265 2
Lo Low (pH 4.5-6) -1.09 -10.58 -35.68 7 8 1 139 267.265 2

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

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