UCSF

ZINC39277345

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 No

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) 0.94 4.44 -15.22 1 6 0 84 233.227 4
Mid Mid (pH 6-8) 0.94 5.2 -34.08 2 6 1 85 234.235 4

Activity (Go SEA)

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