UCSF

ZINC43426644

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Popular Name: [2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-quinolyl]methanamine [2-[(4aS,7aS)-3,4a,5,6,7,7a-hexa…

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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) 2.23 5.65 -53.72 3 4 1 53 284.383 2 ↓
Hi High (pH 8-9.5) 2.23 5.34 -7.24 2 4 0 51 283.375 2 ↓
Mid Mid (pH 6-8) 2.23 6.1 -104.35 4 4 2 54 285.391 2 ↓

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