UCSF

ZINC41670618

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 3.05 7 -5.17 2 4 0 56 248.326 6
Lo Low (pH 4.5-6) 3.05 7.53 -24.97 3 4 0 57 249.334 6

Activity (Go SEA)

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