UCSF

ZINC35663360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) -1.03 3.79 -40.7 4 4 1 60 248.35 5
Mid Mid (pH 6-8) -1.03 4.11 -97.88 5 4 2 61 249.358 5

Activity (Go SEA)

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