UCSF

ZINC52232230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 15 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) 1.48 5.09 -53.92 3 1 1 28 218.242 2
Hi High (pH 8-9.5) 1.48 4.76 -4.26 2 1 0 26 217.234 2

Activity (Go SEA)

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