UCSF

ZINC38808830

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 17 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) 1.55 5.73 -122.11 4 3 2 35 235.375 3
Hi High (pH 8-9.5) 1.55 3.6 -2.35 2 3 0 32 233.359 3
Mid Mid (pH 6-8) 1.55 3.91 -44.38 3 3 1 34 234.367 3
Mid Mid (pH 6-8) 1.55 5.26 -30.6 3 3 1 34 234.367 3

Activity (Go SEA)

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