UCSF

ZINC55575500

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 31 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) 3.19 12.8 -90.44 2 4 2 25 424.608 5
Hi High (pH 8-9.5) 3.19 10.52 -44.76 1 4 1 24 423.6 5
Hi High (pH 8-9.5) 3.19 10.71 -36.01 1 4 1 24 423.6 5
Lo Low (pH 4.5-6) 3.19 13.04 -170.85 3 4 3 26 425.616 5

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

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