UCSF

ZINC12320695

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.79 9.22 -41.75 2 6 1 73 404.437 6
Lo Low (pH 4.5-6) 2.79 9.46 -84.15 3 6 2 74 405.445 6

Activity (Go SEA)

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