UCSF

ZINC29341829

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 14 No

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) -0.96 3.33 -34.25 2 5 0 83 201.222 4
Hi High (pH 8-9.5) -0.96 2 -43.22 1 5 -1 78 200.214 4

Activity (Go SEA)

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