UCSF

ZINC53114733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.60 3.25 -3.75 4 3 0 58 248.37 3
Lo Low (pH 4.5-6) 2.60 3.1 -40.72 5 3 1 60 249.378 3

Activity (Go SEA)

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