UCSF

ZINC43915253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 13 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) 0.99 4.81 -98.37 3 3 2 30 188.315 5
Hi High (pH 8-9.5) 0.99 3.33 -26.89 2 3 1 29 187.307 5
Hi High (pH 8-9.5) 0.99 2.77 -0.96 1 3 0 24 186.299 5
Mid Mid (pH 6-8) 0.99 4.32 -28.26 2 3 1 26 187.307 5

Activity (Go SEA)

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