UCSF

ZINC43705940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 27 No

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) -2.48 5.77 -85.54 5 9 -1 166 404.509 16
Hi High (pH 8-9.5) -2.48 5.5 -99.32 4 9 -2 164 403.501 16

Activity (Go SEA)

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