UCSF

ZINC02015627

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 17 Yes

Popular Name: 2H-1,4-Benzoxazine-2-carboxamide, 3,4-dihydro-N-butyl-, monohydrochloride; 3,4-Dihydro-N-butyl-2H-1,4-benzoxazine-2-carboxamide hydrochloride; LS-41697 2H-1,4-Benzoxazine-2-carboxamide…

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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) 2.20 -2.78 -12.31 2 4 0 50 234.299 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0702004A2; US5719141 IBM Patent Data

Activity (Go SEA)

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