UCSF

ZINC05921691

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 No

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) 2.73 5.31 -53.6 1 5 -1 78 340.33 5
Lo Low (pH 4.5-6) 2.73 4.55 -13.43 2 5 0 76 341.338 5

Activity (Go SEA)

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