UCSF

ZINC43698547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 2.15 7.27 -34.79 2 2 1 25 250.387 5
Hi High (pH 8-9.5) 2.15 4.87 -4.6 1 2 0 23 249.379 5

Activity (Go SEA)

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