UCSF

ZINC35255361

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 2.23 3.91 -44.35 4 3 1 60 273.809 4
Hi High (pH 8-9.5) 2.23 2.73 -9.48 3 3 0 55 272.801 4

Activity (Go SEA)

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