UCSF

ZINC62353245

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 13 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) -0.16 1.8 -44.88 2 4 1 50 198.271 1
Mid Mid (pH 6-8) -0.16 0.53 -9.82 1 4 0 45 197.263 1

Activity (Go SEA)

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