UCSF

ZINC52573138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 20 Yes

Popular Name: 1-[1-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]-N-methyl- 1-[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) 0.91 2.64 -44.54 2 6 1 60 280.396 5 ↓
Hi High (pH 8-9.5) 0.91 1.18 -8.54 1 6 0 55 279.388 5 ↓
Mid Mid (pH 6-8) 0.91 4.84 -98.12 3 6 2 61 281.404 5 ↓

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

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