UCSF

ZINC37187841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 No

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) -0.31 0.73 -83.3 2 5 1 85 316.424 2
Mid Mid (pH 6-8) -0.31 0.08 -23.89 1 5 0 80 315.416 2

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

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