UCSF

ZINC69142669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 No

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) -0.04 0.72 -22.01 1 5 0 80 329.443 2
Mid Mid (pH 6-8) -0.04 1.39 -78.41 2 5 1 85 330.451 2

Activity (Go SEA)

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

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