UCSF

ZINC35736217

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 0.37 1.74 -11.2 3 5 0 77 235.287 4
Lo Low (pH 4.5-6) 0.37 2.11 -37.2 4 5 1 78 236.295 4

Activity (Go SEA)

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