UCSF

ZINC43700281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) -1.34 4.03 -31.02 3 4 0 71 240.328 6
Hi High (pH 8-9.5) -1.34 3.3 -42.32 2 4 -1 69 239.32 6
Mid Mid (pH 6-8) -1.34 5.43 -41.98 3 4 0 71 240.328 6
Mid Mid (pH 6-8) -1.34 5.75 -74.86 4 4 1 72 241.336 6

Activity (Go SEA)

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