UCSF

ZINC22592548

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 29 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) 2.71 10.49 -68.43 4 7 1 100 400.499 12
Mid Mid (pH 6-8) 2.71 9.52 -47.16 3 7 0 95 399.491 12

Activity (Go SEA)

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