UCSF

ZINC12402809

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 35 No

Popular Name: (4S)-2,7,7-trimethyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-N-phenyl-1,4,6,8-tetrahydroquinoline-3 (4S)-2,7,7-trimethyl-4-[4-(morph…

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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) 4.07 9.41 -14.93 2 6 0 71 491.657 5 ↓
Mid Mid (pH 6-8) 4.21 -2.49 -45.36 2 6 1 72 492.665 5 ↓
Mid Mid (pH 6-8) 4.21 -1.48 -46.66 2 6 1 72 492.665 5 ↓
Mid Mid (pH 6-8) 4.03 -2.14 -44.86 2 6 1 72 492.665 5 ↓
Mid Mid (pH 6-8) 4.07 11.75 -42.51 3 6 1 72 492.665 5 ↓

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