UCSF

ZINC67459615

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) 2.13 5.94 -44.13 3 5 1 59 302.398 4
Hi High (pH 8-9.5) 2.13 3.77 -12.41 2 5 0 57 301.39 4

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

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