UCSF

ZINC42139901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 1.74 2.48 -42.29 0 5 -1 69 234.279 1
Lo Low (pH 4.5-6) 1.28 4.34 -8.77 1 5 0 66 235.287 1

Activity (Go SEA)

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