UCSF

ZINC43243900

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.76 6.11 -53.07 3 2 1 37 270.324 4
Hi High (pH 8-9.5) 2.76 5.83 -5.42 2 2 0 35 269.316 4

Activity (Go SEA)

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