UCSF

ZINC20270043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) -0.82 0.84 -48.82 3 5 1 62 249.338 5
Lo Low (pH 4.5-6) -0.82 1.29 -92.12 4 5 2 63 250.346 5

Activity (Go SEA)

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