UCSF

ZINC64548655

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 26 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) 2.27 5.28 -16.88 3 5 0 88 343.386 2
Hi High (pH 8-9.5) 3.36 3.99 -50.25 2 5 -1 94 342.378 2

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

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