UCSF

ZINC22853975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 28 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) 4.57 10.02 -36.73 1 6 0 67 400.548 5
Mid Mid (pH 6-8) 4.57 9.39 -51.14 2 6 1 64 401.556 5

Activity (Go SEA)

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