UCSF

ZINC41721851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 No

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) 0.98 8.32 -47.76 3 5 1 78 272.328 2
Hi High (pH 8-9.5) 0.98 8.01 -6.29 2 5 0 77 271.32 2

Activity (Go SEA)

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