UCSF

ZINC20437598

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 36 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) 3.85 11.15 -81.94 2 7 0 94 486.568 10
Lo Low (pH 4.5-6) 3.85 10.34 -58.67 3 7 1 92 487.576 10

Activity (Go SEA)

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