UCSF

ZINC43915774

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 14 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) 1.37 3.14 -32.72 2 3 1 29 201.334 6
Hi High (pH 8-9.5) 1.37 2.07 -1.65 1 3 0 24 200.326 6
Mid Mid (pH 6-8) 1.37 4.36 -30.96 2 3 1 26 201.334 6

Activity (Go SEA)

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