UCSF

ZINC98088088

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 28 No

Popular Name: (S)-N-[1-(4-Cyclopropylmethyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-ethyl]-3-(2-fluoro-phenyl)acrylamide (S)-N-[1-(4-Cyclopropylmethyl-3,…

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CAS Number: 697287-41-5

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) 4.48 10.79 -13.22 1 4 0 42 380.463 6 ↓
Lo Low (pH 4.5-6) 4.48 11.2 -42.3 2 4 1 43 381.471 6 ↓

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

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