UCSF

ZINC03851933

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 Yes

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) -0.90 0.61 -11.86 2 6 0 83 205.221 4
Mid Mid (pH 6-8) -0.90 1.12 -40.76 3 6 1 84 206.229 4

Vendor Notes

Note Type Comments Provided By
mp 175 - 177 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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

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