UCSF

ZINC49538596

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 19 No

Popular Name: 131 131

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CAS Number: 60362-95-0

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) 0.61 2.7 -8.66 2 4 0 67 264.321 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.443 Bitter DB
biological_use Phytoncide IBScreen Bioactives

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