UCSF

ZINC14255911

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 21 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) 2.78 1.75 -13.33 1 6 0 81 321.383 4
Hi High (pH 8-9.5) 2.78 1.85 -49.85 0 6 -1 83 320.375 4

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

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