UCSF

ZINC55118920

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 22 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) 2.03 7.08 -13.55 0 5 0 51 300.406 6
Lo Low (pH 4.5-6) 2.03 7.54 -38.2 1 5 1 52 301.414 6

Activity (Go SEA)

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