UCSF

ZINC54723063

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 19 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) 2.64 6.97 -9.86 1 3 0 38 258.365 5
Lo Low (pH 4.5-6) 2.64 7.1 -28.86 2 3 1 39 259.373 5

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

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