UCSF

ZINC22686984

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 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) 3.43 8.42 -12.6 1 7 0 69 464.541 7
Lo Low (pH 4.5-6) 3.43 10.35 -45.78 2 7 1 70 465.549 7

Activity (Go SEA)

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