UCSF

ZINC65605395

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 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) 0.94 1.85 -58.55 0 7 -1 91 343.359 5
Lo Low (pH 4.5-6) 0.75 4.38 -18.28 1 7 0 85 344.367 5
Lo Low (pH 4.5-6) 0.75 4.37 -18.89 1 7 0 85 344.367 5

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

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