UCSF

ZINC43395647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.87 3.9 -100.87 4 4 2 54 237.347 2
Hi High (pH 8-9.5) 0.87 3.13 -5.41 2 4 0 51 235.331 2
Hi High (pH 8-9.5) 0.87 3.54 -26.06 3 4 1 53 236.339 2
Mid Mid (pH 6-8) 0.87 3.47 -48.28 3 4 1 53 236.339 2

Activity (Go SEA)

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