UCSF

ZINC31935204

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.64 8.46 -63.89 3 3 1 45 335.258 3
Lo Low (pH 4.5-6) 3.64 8.87 -103.33 4 3 2 46 336.266 3

Activity (Go SEA)

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