UCSF

ZINC40397564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 14 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) 1.75 4.85 -91.98 5 2 2 44 214.378 8
Hi High (pH 8-9.5) 1.75 3.5 -41.92 4 2 1 40 213.37 8

Activity (Go SEA)

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