UCSF

ZINC70105901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 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) 3.96 10.39 -37.39 2 1 1 17 296.887 5
Hi High (pH 8-9.5) 3.96 9.22 -3.15 1 1 0 12 295.879 5

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

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