UCSF

ZINC83433946

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2013 25 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) -2.54 8.37 -77.51 2 6 1 80 352.361 3
Hi High (pH 8-9.5) -2.54 7.1 -33.96 1 6 0 75 351.353 3
Hi High (pH 8-9.5) -2.54 7.11 -34.34 1 6 0 75 351.353 3

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

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