UCSF

ZINC12232297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 29 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) 1.09 -5.53 -17.18 3 10 0 124 403.439 8
Mid Mid (pH 6-8) 1.09 -5.33 -43.55 4 10 1 125 404.447 8

Activity (Go SEA)

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