UCSF

ZINC49581150

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 No

Popular Name: 1-amino-4-(1,3-benzodioxol-5-yl)-2-imino-1,2-dihydro-3-pyridinecarbonitrile 1-amino-4-(1,3-benzodioxol-5-yl)…

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CAS Number: 860611-19-4

Other Names:

MFCD03305430

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) -2.23 4.23 -41.64 4 6 1 98 255.257 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 215 - 216 KeyOrganics

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Rings

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

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