UCSF

ZINC36096802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 2.17 4.47 -16.98 4 10 0 156 333.304 6
Mid Mid (pH 6-8) 2.17 5.24 -39.79 3 10 -1 159 332.296 6
Mid Mid (pH 6-8) 2.17 5.47 -47.86 3 10 -1 159 332.296 6

Activity (Go SEA)

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

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