UCSF

ZINC36194319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.14 3.23 -6.94 2 4 0 53 248.326 5
Lo Low (pH 4.5-6) 2.14 3.68 -24.04 3 4 0 54 249.334 5

Activity (Go SEA)

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