UCSF

ZINC43428120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Popular Name: (4aS,8aS)-4-[[(2S,4R)-4-methoxypyrrolidin-2-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazi (4aS,8aS)-4-[[(2S,4R)-4-methoxyp…

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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) 1.45 2.35 -38.64 2 4 1 38 255.382 3 ↓
Hi High (pH 8-9.5) 1.45 1.01 -2.85 1 4 0 34 254.374 3 ↓
Mid Mid (pH 6-8) 1.45 3.4 -33.03 2 4 1 35 255.382 3 ↓
Mid Mid (pH 6-8) 1.45 4.73 -119.05 3 4 2 40 256.39 3 ↓

Activity (Go SEA)

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