UCSF

ZINC22107445

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 3.75 7.47 -42.09 0 6 -1 84 403.389 4
Mid Mid (pH 6-8) 3.29 9.25 -9.65 1 6 0 81 404.397 4

Activity (Go SEA)

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