UCSF

ZINC35522192

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 39 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) 5.36 15.5 -47.05 1 6 1 50 532.749 13
Lo Low (pH 4.5-6) 5.36 17.77 -129.83 2 6 2 52 533.757 13

Activity (Go SEA)

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