UCSF

ZINC04817461

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 19 Yes

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) 0.41 2.59 -14.32 0 6 0 77 272.289 1
Lo Low (pH 4.5-6) 0.41 2.87 -58.78 1 6 1 78 273.297 1

Activity (Go SEA)

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