UCSF

ZINC20217768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) 1.67 7.33 -45.87 1 3 1 25 278.214 2
Hi High (pH 8-9.5) 1.67 5.34 -5.22 0 3 0 24 277.206 2

Activity (Go SEA)

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