UCSF

ZINC40444069

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 2.80 6.82 -39.36 2 2 1 29 249.403 3
Hi High (pH 8-9.5) 2.80 5.65 -3.07 1 2 0 25 248.395 3

Activity (Go SEA)

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