UCSF

ZINC31917377

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) -1.44 2.79 -81.76 3 7 0 107 308.334 6
Hi High (pH 8-9.5) -1.44 2.46 -53.59 2 7 -1 105 307.326 6

Activity (Go SEA)

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