UCSF

ZINC62767781

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 18 Yes

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]tetrahydropyran-4-ami N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 1.23 2.41 -43.2 2 4 1 38 255.382 4 ↓
Hi High (pH 8-9.5) 1.23 1.24 -3.8 1 4 0 34 254.374 4 ↓
Lo Low (pH 4.5-6) 1.23 4.68 -122.11 3 4 2 40 256.39 4 ↓

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

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