UCSF

ZINC34682272

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 3.28 8.92 -42.25 3 6 1 70 403.934 6
Lo Low (pH 4.5-6) 3.28 9.26 -98.48 4 6 2 71 404.942 6

Activity (Go SEA)

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