UCSF

ZINC52573140

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 21 Yes

Popular Name: N-[[1-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]methyl]et N-[[1-[2-[(4aS,8aS)-2,3,4a,5,6,7…

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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) 1.29 3.5 -43.76 2 6 1 60 294.423 6 ↓
Hi High (pH 8-9.5) 1.29 2.12 -8.41 1 6 0 55 293.415 6 ↓
Mid Mid (pH 6-8) 1.29 5.7 -97.97 3 6 2 61 295.431 6 ↓

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

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