UCSF

ZINC12233203

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) 1.65 -1.92 -14.03 1 8 0 95 404.455 4
Lo Low (pH 4.5-6) 1.65 -1.81 -46.37 2 8 1 96 405.463 4

Activity (Go SEA)

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