UCSF

ZINC32932467

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 21 Yes

Popular Name: 4-[(2R)-2-(3-methylisoxazol-5-yl)pyrrolidine-1-carbonyl]benzonitrile 4-[(2R)-2-(3-methylisoxazol-5-yl…

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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) 1.59 7.53 -15.82 0 5 0 70 281.315 2 ↓

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