UCSF

ZINC04353318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 18 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) 3.85 10.29 -5.1 0 4 0 53 258.358 13

Vendor Notes

Note Type Comments Provided By
Melting_Point 9? lit. Alfa-Aesar
Boiling_Point 129?/2mm lit. Alfa-Aesar

Activity (Go SEA)

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