UCSF

ZINC43427173

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.66 3.84 -38.33 2 3 1 29 227.372 5
Mid Mid (pH 6-8) 1.66 6.04 -104.75 3 3 2 30 228.38 5

Activity (Go SEA)

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