UCSF

ZINC26228657

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 20 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) 1.47 6.02 -48.55 2 6 1 73 283.348 8
Hi High (pH 8-9.5) 1.47 3.76 -13.43 1 6 0 72 282.34 8

Activity (Go SEA)

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