UCSF

ZINC04569027

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 23 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) 2.79 -3.19 -53.08 1 6 -1 95 354.791 6
Hi High (pH 8-9.5) 2.79 -2.61 -105.36 0 6 -2 97 353.783 6

Activity (Go SEA)

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