UCSF

ZINC16099584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 25 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) 2.90 0.7 -15.12 3 6 0 106 414.814 5
Hi High (pH 8-9.5) 2.90 0.77 -37.98 2 6 -1 108 413.806 5

Activity (Go SEA)

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