UCSF

ZINC43805668

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 3.16 8.02 -90.63 3 3 2 24 269.477 6
Hi High (pH 8-9.5) 3.16 5.76 -32.51 2 3 1 23 268.469 6
Mid Mid (pH 6-8) 3.16 7.69 -110.24 3 3 2 24 269.477 6

Activity (Go SEA)

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