UCSF

ZINC22006560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 33 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) 6.77 15.36 -9.84 0 4 0 40 498.479 9
Lo Low (pH 4.5-6) 6.77 15.77 -36.69 1 4 1 41 499.487 9

Activity (Go SEA)

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