UCSF

ZINC22358539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 31 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) 4.54 10.14 -47.05 0 6 -1 80 438.935 3
Mid Mid (pH 6-8) 4.08 11.92 -8.32 1 6 0 77 439.943 3

Activity (Go SEA)

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