UCSF

ZINC22219589

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 0.16 0.67 -60.7 4 6 1 78 294.375 7
Mid Mid (pH 6-8) 0.16 3.01 -104.47 5 6 2 80 295.383 7

Activity (Go SEA)

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