UCSF

ZINC67119574

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 16 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) 2.36 7.87 -32.8 2 4 1 42 286.197 4
Hi High (pH 8-9.5) 2.36 5.73 -3.4 1 4 0 41 285.189 4

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

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