UCSF

ZINC49559324

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 3.17 8.71 -37.96 1 4 0 45 305.447 5
Mid Mid (pH 6-8) 2.71 10.26 -35.47 2 4 1 42 306.455 5

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

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