UCSF

ZINC52540074

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Popular Name: N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aR)-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) 1.30 3.31 -38.68 2 4 1 42 282.433 5 ↓
Hi High (pH 8-9.5) 1.30 1.93 -5.46 1 4 0 37 281.425 5 ↓
Mid Mid (pH 6-8) 1.30 5.4 -91.1 3 4 2 43 283.441 5 ↓

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

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