UCSF

ZINC38139110

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 33 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) -0.85 13.41 -26.52 1 9 1 107 446.487 7
Mid Mid (pH 6-8) 3.06 12.88 -22.23 0 9 0 108 445.479 6

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

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