UCSF

ZINC42450884

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.64 1.3 -34.96 4 4 1 64 228.36 5
Mid Mid (pH 6-8) 1.64 3.31 -103.8 5 4 2 65 229.368 5

Activity (Go SEA)

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