UCSF

ZINC33779165

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 5.34 9.87 -13.93 1 4 0 45 418.349 4
Lo Low (pH 4.5-6) 5.34 10.2 -34.86 2 4 1 46 419.357 4

Activity (Go SEA)

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