UCSF

ZINC52540105

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 2.12 4.38 -36.1 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 2.12 3.12 -5.27 1 4 0 37 309.479 5 ↓
Mid Mid (pH 6-8) 2.12 6.65 -88.32 3 4 2 43 311.495 5 ↓

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

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