UCSF

ZINC69149195

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 28 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) 2.29 5.05 -12.95 1 6 0 70 413.421 5
Hi High (pH 8-9.5) 2.29 4.98 -45.15 0 6 -1 72 412.413 5

Activity (Go SEA)

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