UCSF

ZINC62778089

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 12 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) -0.74 -1.49 -48.44 5 5 1 85 167.192 2
Mid Mid (pH 6-8) -0.74 -1.79 -10.47 4 5 0 84 166.184 2

Activity (Go SEA)

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

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