UCSF

ZINC35629467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 0.54 5.55 -44.71 3 3 1 50 243.33 4
Lo Low (pH 4.5-6) 0.54 6 -89.59 4 3 2 51 244.338 4

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

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