UCSF

ZINC16857195

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.19 3.46 -10.3 2 4 0 54 215.256 1
Lo Low (pH 4.5-6) 1.19 3.74 -37.44 3 4 1 55 216.264 1

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

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