UCSF

ZINC02041152

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Popular Name: 165 165

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CAS Number: 102-45-4

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) 2.48 0.27 -34.73 2 1 1 16 142.266 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.214 Bitter DB

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