UCSF

ZINC51482330

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 20 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) 2.91 7.74 -31.77 2 4 1 42 298.838 7
Hi High (pH 8-9.5) 2.91 6.37 -5.83 1 4 0 37 297.83 7

Activity (Go SEA)

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

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