UCSF

ZINC29166365

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 19 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) 2.77 3.27 -15.58 2 5 0 75 284.381 7
Hi High (pH 8-9.5) 2.77 3.34 -49.75 1 5 -1 77 283.373 7

Activity (Go SEA)

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