UCSF

ZINC19446777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 21 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) 2.14 6.01 -38.32 1 6 1 51 295.455 5
Mid Mid (pH 6-8) 2.14 5.44 -41.66 1 6 1 51 295.455 5
Mid Mid (pH 6-8) 2.14 3.53 -9.72 0 6 0 50 294.447 5

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

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