UCSF

ZINC22926101

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 0.48 7.36 -99.33 3 8 2 71 450.624 10
Hi High (pH 8-9.5) 0.48 5.57 -44.99 2 8 1 70 449.616 10

Activity (Go SEA)

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