UCSF

ZINC20418857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 24 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) 4.30 11.98 -120.79 3 3 2 30 348.918 10
Mid Mid (pH 6-8) 4.30 10.7 -38.08 2 3 1 26 347.91 10

Activity (Go SEA)

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