UCSF

ZINC60022349

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 29 Yes

Popular Name: (2R)-2-methyl-1-[2-[4-[(1S)-1-methyl-2-phenyl-ethyl]piperazin-1-yl]ethyl]-2,3-dihydroquinazolin-4-on (2R)-2-methyl-1-[2-[4-[(1S)-1-me…

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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) 3.45 9.66 -50.03 2 5 1 40 393.555 6 ↓
Hi High (pH 8-9.5) 3.45 7.78 -9.92 1 5 0 39 392.547 6 ↓
Mid Mid (pH 6-8) 3.45 10.05 -58.11 2 5 1 40 393.555 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4060526; US4205173 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.