UCSF

ZINC71556342

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.01 8.22 -20.52 1 5 0 67 370.261 3
Hi High (pH 8-9.5) 4.01 7.8 -41 0 5 -1 66 369.253 3
Lo Low (pH 4.5-6) 4.01 7.77 -11.74 1 5 0 63 370.261 3
Lo Low (pH 4.5-6) 4.01 8.22 -37.82 2 5 1 65 371.269 3

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

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