UCSF

ZINC38600353

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.56 9.82 -31.5 3 3 1 43 284.77 0
Hi High (pH 8-9.5) 3.56 8.75 -5.38 2 3 0 42 283.762 0

Activity (Go SEA)

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