UCSF

ZINC22164425

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 1.93 5.27 -44.05 3 3 1 44 237.367 6
Mid Mid (pH 6-8) 1.93 7.1 -122 4 3 2 45 238.375 6
Mid Mid (pH 6-8) 1.93 6.48 -26.75 3 3 1 44 237.367 6

Activity (Go SEA)

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