UCSF

ZINC24214429

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 30 No

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) 2.88 10.36 -44.54 3 7 1 83 411.526 9
Hi High (pH 8-9.5) 2.88 8.11 -20.72 2 7 0 82 410.518 9

Activity (Go SEA)

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