UCSF

ZINC43803059

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 16 Yes

Popular Name: (4aS,7aR)-4-[[(2S)-morpholin-2-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aS,7aR)-4-[[(2S)-morpholin-2-y…

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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) 0.34 1.3 -43.17 2 4 1 38 227.328 2 ↓
Hi High (pH 8-9.5) 0.34 -0.08 -3.75 1 4 0 34 226.32 2 ↓
Mid Mid (pH 6-8) 0.34 1.96 -31.72 2 4 1 35 227.328 2 ↓
Lo Low (pH 4.5-6) 0.34 3.33 -101.94 3 4 2 40 228.336 2 ↓

Activity (Go SEA)

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