UCSF

ZINC20219362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

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) 2.42 10.66 -73.12 2 9 0 120 471.554 11
Lo Low (pH 4.5-6) 2.42 9.77 -46.3 3 9 1 117 472.562 11

Activity (Go SEA)

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