UCSF

ZINC83304014

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 25 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) 2.85 3.58 -14.74 3 7 0 92 343.383 8
Hi High (pH 8-9.5) 2.85 4.5 -46.88 2 7 -1 95 342.375 8

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

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