UCSF

ZINC19946445

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 Yes

Popular Name: (3S)-5-bromo-3-[[(3R)-quinuclidin-3-yl]amino]indolin-2-one (3S)-5-bromo-3-[[(3R)-quinuclidi…

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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) 2.11 2.46 -4.29 2 4 0 44 336.233 2 ↓
Mid Mid (pH 6-8) 2.11 6.08 -115.4 4 4 2 50 338.249 2 ↓
Mid Mid (pH 6-8) 2.11 5 -42.11 3 4 1 46 337.241 2 ↓
Mid Mid (pH 6-8) 2.11 4.9 -32.33 3 4 1 46 337.241 2 ↓
Mid Mid (pH 6-8) 2.11 5.7 -111.37 4 4 2 50 338.249 2 ↓

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