UCSF

ZINC69489839

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: 3-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]-2H-benzo[e][1,2,4]thiadiaz 3-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-…

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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) 2.08 3.05 -22.27 1 6 0 71 335.429 2 ↓
Mid Mid (pH 6-8) 2.08 2.64 -39.62 0 6 -1 73 334.421 2 ↓
Lo Low (pH 4.5-6) 2.08 4.73 -32.65 1 6 0 74 335.429 2 ↓

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

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