UCSF

ZINC20125869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 4.24 7.39 -38.8 2 3 1 33 340.285 5
Hi High (pH 8-9.5) 4.24 5.75 -4.08 1 3 0 28 339.277 5
Mid Mid (pH 6-8) 4.24 9.5 -116.72 3 3 2 34 341.293 5
Mid Mid (pH 6-8) 4.24 8.23 -32.44 2 3 1 30 340.285 5

Activity (Go SEA)

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