UCSF

ZINC43447907

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -0.03 3.1 -42.32 2 4 1 40 228.36 5
Mid Mid (pH 6-8) -0.03 4.07 -40.29 2 4 1 37 228.36 5
Lo Low (pH 4.5-6) -0.03 5.33 -105.66 3 4 2 41 229.368 5

Activity (Go SEA)

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