UCSF

ZINC22126325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 3.87 9.32 -9.08 2 3 0 44 283.762 2
Mid Mid (pH 6-8) 3.87 9.42 -28.77 3 3 1 45 284.77 2

Activity (Go SEA)

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