UCSF

ZINC49234247

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 20 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) 2.21 4.96 -12.22 3 5 0 77 291.376 5
Hi High (pH 8-9.5) 2.39 2.62 -44.16 2 5 -1 84 290.368 5

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

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