UCSF

ZINC48526494

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 19 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) 4.24 9.34 -11.39 0 2 0 18 258.271 2
Lo Low (pH 4.5-6) 4.24 9.78 -24.92 1 2 1 19 259.279 2

Activity (Go SEA)

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