UCSF

ZINC06228526

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 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) 3.67 8.2 -27.08 2 3 1 29 270.381 3
Hi High (pH 8-9.5) 3.67 8.11 -27.84 2 3 1 29 270.381 2
Hi High (pH 8-9.5) 3.67 7.06 -4.88 1 3 0 28 269.373 2

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

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