UCSF

ZINC49305136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 16 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) -0.91 2.62 -44.24 2 5 1 55 229.3 5
Hi High (pH 8-9.5) -0.91 1.2 -11.37 1 5 0 51 228.292 5

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

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