UCSF

ZINC21785268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 3.71 10.64 -30.27 2 6 0 76 404.514 6
Mid Mid (pH 6-8) 3.71 10.75 -44.1 3 6 1 77 405.522 6

Activity (Go SEA)

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