UCSF

ZINC22055292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 0.86 0.02 -35.03 5 5 1 85 288.408 5
Hi High (pH 8-9.5) 0.86 0.72 -43.41 4 5 0 88 287.4 5

Activity (Go SEA)

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