UCSF

ZINC43708176

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 0.21 3.49 -52.66 3 5 1 79 250.253 2
Hi High (pH 8-9.5) 0.21 2.14 -9.82 2 5 0 74 249.245 2

Activity (Go SEA)

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