UCSF

ZINC49509291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 17 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) 1.16 3.67 -26.65 2 4 1 39 236.339 4
Hi High (pH 8-9.5) 1.16 3.23 -5.65 1 4 0 37 235.331 4
Mid Mid (pH 6-8) 1.16 5.98 -90.76 3 4 2 40 237.347 4

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

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