UCSF

ZINC13722197

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 22 No

Download: MOL2 SDF SMILES Flexibase

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) 2.14 4.52 -13.87 2 5 0 75 296.326 1
Hi High (pH 8-9.5) 2.68 2.68 -38.5 1 5 -1 82 295.318 1

Activity (Go SEA)

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