UCSF

ZINC43767187

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 31 Yes

Popular Name: (2S)-2-methyl-N-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-1-methylsulfonyl-indoline-5-carbo (2S)-2-methyl-N-[(2S)-2-(4-methy…

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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) 3.57 9.58 -45.3 2 6 1 71 462.661 6 ↓
Hi High (pH 8-9.5) 3.57 7.96 -13.09 1 6 0 70 461.653 6 ↓

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

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