UCSF

ZINC40996631

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 17 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) 3.02 5.69 -41.87 2 3 1 39 249.359 5
Hi High (pH 8-9.5) 3.02 4.31 -5.16 1 3 0 34 248.351 5

Activity (Go SEA)

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