UCSF

ZINC43700058

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -3.36 2.32 -45.68 3 5 0 80 202.254 4
Hi High (pH 8-9.5) -3.36 0.37 -43.66 2 5 -1 79 201.246 4
Mid Mid (pH 6-8) -3.36 0.77 -33.06 3 5 0 80 202.254 4
Mid Mid (pH 6-8) -3.36 2.66 -82.55 4 5 1 81 203.262 4

Activity (Go SEA)

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