UCSF

ZINC22591781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 21 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) 2.77 8.44 -38.88 1 5 1 49 292.355 5
Mid Mid (pH 6-8) 2.77 6.22 -9.37 0 5 0 48 291.347 5

Activity (Go SEA)

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