UCSF

ZINC08635266

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2007 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 8.22 1.73 -45.71 2 3 1 37 454.078 10
Lo Low (pH 4.5-6) 8.22 1.88 -92.96 3 3 2 38 455.086 10

Activity (Go SEA)

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