UCSF

ZINC16482791

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 25 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) 2.82 7.33 -13.82 1 6 0 75 363.483 5
Mid Mid (pH 6-8) 2.82 9.43 -50.71 2 6 1 76 364.491 5

Activity (Go SEA)

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