UCSF

ZINC94074660

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2013 19 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) 3.18 7.24 -39.51 3 2 1 29 253.369 4
Hi High (pH 8-9.5) 3.18 5.82 -3.01 2 2 0 24 252.361 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 91-92? Alfa-Aesar
Melting_Point 91-92° Alfa-Aesar

Activity (Go SEA)

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

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