UCSF

ZINC69908623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 15 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) 1.63 4.2 -5.39 2 3 0 42 243.401 2
Mid Mid (pH 6-8) 1.63 5.92 -34.42 3 3 1 43 244.409 2
Mid Mid (pH 6-8) 1.63 4.27 -31.37 3 3 1 43 244.409 2

Activity (Go SEA)

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

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