UCSF

ZINC13405691

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 14 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) 2.30 4.72 -11.19 1 2 0 29 193.29 1
Mid Mid (pH 6-8) 2.10 4.21 -34.2 1 2 1 31 194.298 0

Vendor Notes

Note Type Comments Provided By
mp 194 - 196 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.