UCSF

ZINC55077324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.73 5.53 -92.52 4 3 2 35 283.485 5
Hi High (pH 8-9.5) 1.73 3.23 -1.8 2 3 0 32 281.469 5
Hi High (pH 8-9.5) 1.73 3.66 -40.64 3 3 1 34 282.477 5

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

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