UCSF

ZINC01672766

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 Yes

Popular Name: 617 617

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CAS Number: 4439-25-2

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) 1.72 -0.68 -41.9 4 4 1 68 237.323 7 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.645 Bitter DB

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