UCSF

ZINC43252381

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.87 6.24 -42.16 3 2 1 31 289.896 7
Hi High (pH 8-9.5) 3.87 6.3 -0.52 2 2 0 29 288.888 7
Mid Mid (pH 6-8) 3.87 7.49 -32.06 3 2 1 30 289.896 7
Mid Mid (pH 6-8) 3.87 7.62 -111.01 4 2 2 32 290.904 7

Activity (Go SEA)

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