UCSF

ZINC39270096

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 18 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) 2.70 5.75 -40.07 3 2 1 37 260.382 5
Hi High (pH 8-9.5) 2.70 4.27 -5.31 2 2 0 32 259.374 5

Activity (Go SEA)

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