UCSF

ZINC41214700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 15 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) 0.68 0.4 -10.27 2 4 0 50 206.245 2
Mid Mid (pH 6-8) 0.68 1.48 -49.98 3 4 1 55 207.253 2

Activity (Go SEA)

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