UCSF

ZINC33758362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 27 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) 2.48 2.9 -17.33 1 8 0 107 404.835 7
Lo Low (pH 4.5-6) 2.48 3.38 -52.33 2 8 1 108 405.843 7

Activity (Go SEA)

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