UCSF

ZINC17750174

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 29 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) 3.22 10.2 -59.15 0 5 -1 73 403.845 5
Lo Low (pH 4.5-6) 3.22 9.37 -15.37 1 5 0 71 404.853 5

Activity (Go SEA)

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