UCSF

ZINC95719250

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 5 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) 2.84 3.72 -0.11 0 0 0 0 270.721 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 74? Alfa-Aesar
Melting_Point 74° Alfa-Aesar
Boiling_Point 106-107? Alfa-Aesar
Boiling_Point 106-107° Alfa-Aesar

Activity (Go SEA)

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

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