UCSF

ZINC37875855

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.92 1.77 -5.32 2 4 0 45 339.65 5
Mid Mid (pH 6-8) 2.92 4.04 -43.06 3 4 1 46 340.658 5

Activity (Go SEA)

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