UCSF

ZINC34977628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 0.96 4.49 -21.17 2 7 0 99 248.242 2
Lo Low (pH 4.5-6) 0.96 4.33 -53.92 3 7 1 100 249.25 2

Activity (Go SEA)

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