UCSF

ZINC66635621

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 22 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) 2.31 4.69 -14.27 2 6 0 89 320.37 6
Hi High (pH 8-9.5) 2.31 5.69 -51.43 1 6 -1 91 319.362 6
Lo Low (pH 4.5-6) 2.31 4.87 -36.52 3 6 1 90 321.378 6

Activity (Go SEA)

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

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