UCSF

ZINC43252908

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.12 6.59 -44.12 3 2 1 31 301.907 8
Hi High (pH 8-9.5) 4.12 6.33 -1.71 2 2 0 29 300.899 8
Mid Mid (pH 6-8) 4.12 8.38 -33.27 3 2 1 30 301.907 8
Mid Mid (pH 6-8) 4.12 8.67 -112.89 4 2 2 32 302.915 8

Activity (Go SEA)

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