UCSF

ZINC22290068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 29 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) 1.95 6.32 -45.37 3 8 1 94 419.527 8
Hi High (pH 8-9.5) 1.77 5.25 -42.21 2 8 0 100 418.519 8

Activity (Go SEA)

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