UCSF

ZINC28467896

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 21 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) -1.78 3.6 -118.29 4 7 -1 137 297.331 6
Hi High (pH 8-9.5) -1.78 3.32 -113.86 3 7 -2 135 296.323 6

Activity (Go SEA)

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