UCSF

ZINC39912547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 5.78 11.09 -12.02 2 6 0 78 518.411 5
Hi High (pH 8-9.5) 5.56 10.94 -53.4 0 6 -1 77 517.403 5
Hi High (pH 8-9.5) 5.56 10.6 -51.15 0 6 -1 77 517.403 5
Hi High (pH 8-9.5) 5.78 11.9 -44.28 1 6 -1 81 517.403 5

Activity (Go SEA)

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