UCSF

ZINC02390359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 Yes

CAS Number: 31699-38-4

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) 4.82 9.76 -4.7 0 0 0 0 162.276 5

Vendor Notes

Note Type Comments Provided By
Boiling_Point 103-104?/8mm Alfa-Aesar
Boiling_Point 103-104°/8mm Alfa-Aesar

Activity (Go SEA)

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

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