UCSF

ZINC40444447

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 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) -1.17 -1.78 -8.15 3 7 0 104 225.233 3
Mid Mid (pH 6-8) -0.71 -3.45 -37.93 2 7 -1 107 224.225 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.