UCSF

ZINC02039231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 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) 2.25 3.48 -2.24 0 0 0 0 134.047 1

Vendor Notes

Note Type Comments Provided By
BP 18.3° Matrix Scientific
MP 81.1° Matrix Scientific
Purity 97% Matrix Scientific
Warnings GAS Matrix Scientific
Warnings Nonflammable Gas Matrix Scientific

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

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