UCSF

ZINC66139355

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 44 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) 7.54 20.01 -58.9 3 6 1 46 636.996 14
Hi High (pH 8-9.5) 7.54 17.42 -21 2 6 0 45 635.988 14

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

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