UCSF

ZINC22853447

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) 3.16 9.2 -41.07 1 8 0 97 404.492 7
Mid Mid (pH 6-8) 3.16 6.94 -52.01 0 8 -1 96 403.484 7
Mid Mid (pH 6-8) 3.16 6.31 -16.09 1 8 0 93 404.492 7

Activity (Go SEA)

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