UCSF

ZINC48721563

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 18 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) -0.22 2.73 -8.46 2 6 0 74 248.286 3
Lo Low (pH 4.5-6) -0.22 2.9 -31.57 3 6 1 76 249.294 3

Activity (Go SEA)

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