UCSF

ZINC01847439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 6 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) 2.12 3.3 -2.14 0 0 0 0 98.067 1

Vendor Notes

Note Type Comments Provided By
BP 12° Matrix Scientific
MP 148° Matrix Scientific
Purity 97% Matrix Scientific
Warnings Flammable Gas Matrix Scientific
Warnings GAS, FLAMMABLE Matrix Scientific

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

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