UCSF

ZINC35643766

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 28 Yes

Popular Name: allyl-N-[3-(dimethylamino)propyl]BLAHcarboxamide allyl-N-[3-(dimethylamino)propyl…

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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) 2.62 10.39 -91.01 4 5 2 54 382.552 7 ↓
Mid Mid (pH 6-8) 2.62 8.21 -45.77 3 5 1 53 381.544 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0593692A1; EP0593692B1; US5382669 IBM Patent Data

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Rings

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

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