UCSF

ZINC22169189

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) 2.67 3.85 -53.4 4 4 1 74 291.396 4
Hi High (pH 8-9.5) 2.67 3.92 -68.47 3 4 0 76 290.388 4
Hi High (pH 8-9.5) 2.67 3.46 -11.11 3 4 0 72 290.388 4

Activity (Go SEA)

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