UCSF

ZINC55071341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 No

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) 1.14 4.49 -35.59 4 5 1 59 264.397 5
Hi High (pH 8-9.5) 1.14 2.6 -5.04 3 5 0 57 263.389 5
Lo Low (pH 4.5-6) 1.14 4.96 -76.04 5 5 2 60 265.405 5

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

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