UCSF

ZINC03954551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 19 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) 0.20 2.97 -42.84 2 8 -1 123 280.289 4
Lo Low (pH 4.5-6) 0.75 3.37 -14.74 3 8 0 120 281.297 2

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

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