UCSF

ZINC29309284

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 22 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) 2.48 7.53 -9.74 0 4 0 41 299.37 5
Lo Low (pH 4.5-6) 2.48 7.97 -39.96 1 4 1 42 300.378 5

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

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