UCSF

ZINC37869191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 1.34 2.9 -34.32 4 3 1 60 229.25 4
Mid Mid (pH 6-8) 1.34 2.07 -5.37 3 3 0 55 228.242 4

Activity (Go SEA)

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