UCSF

ZINC12250967

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2008 28 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) 4.72 0.77 -14.84 1 5 0 75 409.898 6
Lo Low (pH 4.5-6) 4.72 0.95 -49.54 2 5 1 76 410.906 6

Activity (Go SEA)

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