UCSF

ZINC20382925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 2.09 5.99 -77.01 5 4 2 57 250.39 5
Hi High (pH 8-9.5) 2.09 5.5 -37.14 4 4 1 55 249.382 5

Activity (Go SEA)

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