UCSF

ZINC48258045

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 15 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) -0.78 -2.73 -13.45 3 6 0 96 235.309 3
Lo Low (pH 4.5-6) -0.78 -1.18 -48.66 4 6 1 97 236.317 3

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

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