UCSF

ZINC22214949

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 2.34 3.81 -5.39 1 3 0 38 256.099 4
Mid Mid (pH 6-8) 2.34 5.24 -44.98 2 3 1 43 257.107 4

Activity (Go SEA)

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