UCSF

ZINC01383217

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 13 Yes

Popular Name: 3,5-dimethyl-4-(1-pyrrolidinylmethyl)isoxazole 3,5-dimethyl-4-(1-pyrrolidinylme…

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CAS Number: 303985-45-7

Other Names:

MFCD00975844

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) 1.00 6.28 -38.85 1 3 1 30 181.259 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point Oil KeyOrganics

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Rings

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

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