UCSF

ZINC39114491

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) -0.07 -0.4 -40.06 3 3 1 40 185.291 1
Lo Low (pH 4.5-6) -0.07 1.98 -115.72 4 3 2 41 186.299 1

Activity (Go SEA)

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