UCSF

ZINC71540297

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 24 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) -2.76 5.5 -104.77 2 10 -2 160 332.272 7
Hi High (pH 8-9.5) -2.30 3.65 -187.76 1 10 -3 163 331.264 7
Lo Low (pH 4.5-6) -2.76 3.52 -51.49 3 10 -1 157 333.28 7

Activity (Go SEA)

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

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