UCSF

ZINC13590103

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 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) 3.46 7.9 -13.77 1 5 0 68 404.538 4
Mid Mid (pH 6-8) 3.46 8.78 -62 0 5 -1 70 403.53 4

Activity (Go SEA)

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