UCSF

ZINC67947993

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 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) 3.24 10.32 -104.28 2 4 2 31 339.483 4
Hi High (pH 8-9.5) 3.24 7.7 -45.07 1 4 1 30 338.475 4
Hi High (pH 8-9.5) 3.24 8.07 -39.8 1 4 1 30 338.475 4

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

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