UCSF

ZINC04885539

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.82 8.33 -40.07 2 7 1 90 395.435 5
Mid Mid (pH 6-8) 2.82 7.44 -10.2 1 7 0 85 394.427 5

Activity (Go SEA)

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