UCSF

ZINC53335751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 14 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) 0.76 2.58 -45.57 2 3 1 39 211.31 1
Mid Mid (pH 6-8) 0.76 1.17 -5.31 1 3 0 34 210.302 1

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

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