UCSF

ZINC20610544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 26 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) 0.63 5.8 -72.97 2 8 -1 124 352.326 5
Hi High (pH 8-9.5) 1.09 4.68 -122.49 1 8 -2 127 351.318 5

Activity (Go SEA)

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