UCSF

ZINC43413040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.13 6.38 -52.67 2 5 -1 89 290.339 5
Hi High (pH 8-9.5) 3.13 7.39 -119.1 1 5 -2 92 289.331 5

Activity (Go SEA)

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