UCSF

ZINC22234860

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 24 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) 1.20 8.7 -29.05 1 5 0 64 341.798 4
Lo Low (pH 4.5-6) 1.20 9.14 -68.5 2 5 1 65 342.806 4

Activity (Go SEA)

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