UCSF

ZINC02039644

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 31 No

Popular Name: 318 318

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CAS Number: 25155-18-4

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) 3.03 16.27 -33.75 0 3 1 18 426.665 12 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 10.269 Bitter DB

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

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