UCSF

ZINC69664556

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 14 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) 0.12 2.07 -47.68 3 4 1 63 197.258 4
Mid Mid (pH 6-8) 0.30 -0.38 -41.97 2 4 0 69 196.25 4
Mid Mid (pH 6-8) 0.30 -0.46 -40.25 2 4 0 69 196.25 4

Activity (Go SEA)

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

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