UCSF

ZINC22175679

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) 2.75 4.22 -45.19 3 3 1 50 229.303 3
Mid Mid (pH 6-8) 2.75 3.83 -6.71 2 3 0 48 228.295 3

Activity (Go SEA)

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