UCSF

ZINC05694919

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 26 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) 1.57 5.33 -19.45 2 6 0 84 351.406 6
Lo Low (pH 4.5-6) 1.57 5.61 -47.63 3 6 1 85 352.414 6

Activity (Go SEA)

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