UCSF

ZINC20259730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 0.75 1.96 -62.81 2 6 -1 98 273.334 8
Lo Low (pH 4.5-6) 0.75 0.84 -25.9 3 6 0 95 274.342 8

Activity (Go SEA)

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