UCSF

ZINC20064984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 30 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) 3.66 3.33 -8.94 2 6 0 65 455.382 10
Mid Mid (pH 6-8) 3.66 5.7 -50.15 3 6 1 67 456.39 10

Activity (Go SEA)

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