UCSF

ZINC43700130

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) -1.68 4.62 -72.94 4 5 1 75 256.37 4
Hi High (pH 8-9.5) -1.68 4.2 -63.14 3 5 0 74 255.362 4
Mid Mid (pH 6-8) -1.68 4.34 -82.98 4 5 1 75 256.37 4

Activity (Go SEA)

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