UCSF

ZINC03236696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 26 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) 4.76 1.37 -10.46 0 4 0 44 366.848 3
Mid Mid (pH 6-8) 4.76 0.49 -8.65 0 4 0 44 366.848 3
Mid Mid (pH 6-8) 5.28 0.38 -17.22 0 4 0 44 366.848 4

Activity (Go SEA)

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

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