UCSF

ZINC05114391

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 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) 3.15 7.38 -15.82 2 5 0 92 362.466 8

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.633 Bitter DB

Activity (Go SEA)

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

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