UCSF

ZINC37043086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.72 2.39 -44.36 4 5 1 75 251.354 3
Hi High (pH 8-9.5) -0.72 2.56 -12.92 3 5 0 73 250.346 3

Activity (Go SEA)

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