UCSF

ZINC01635571

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 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) 2.64 8.48 -4.54 0 1 0 5 171.243 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 155-160?/15mm Alfa-Aesar
Boiling_Point 155-160°/15mm Alfa-Aesar
Melting_Point 48-52? Alfa-Aesar
Melting_Point 48-52° Alfa-Aesar
MP 49 TCI

Activity (Go SEA)

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

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