UCSF

ZINC34866963

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 26 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) 5.51 11.46 -47.68 2 3 1 34 404.377 6
Hi High (pH 8-9.5) 5.51 9.25 -6.58 1 3 0 32 403.369 6

Activity (Go SEA)

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