UCSF

ZINC22169295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) -0.59 -0.4 -42.13 4 5 1 85 271.362 3
Hi High (pH 8-9.5) -0.59 -0.79 -11.33 3 5 0 84 270.354 3

Activity (Go SEA)

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