UCSF

ZINC43435596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 1.46 3.94 -9.62 1 5 0 65 217.265 8
Lo Low (pH 4.5-6) 1.46 5.16 -42.86 2 5 1 69 218.273 8

Activity (Go SEA)

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