UCSF

ZINC67052069

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 20 No

Popular Name: (2S)-1-ethyl-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide (2S)-1-ethyl-N-[2-(4-methyl-5-su…

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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) 0.14 6.85 -51.64 3 6 1 67 298.436 5 ↓
Hi High (pH 8-9.5) 0.86 4.7 -52.18 1 6 -1 63 296.42 5 ↓
Mid Mid (pH 6-8) 0.86 6.78 -69.56 2 6 0 64 297.428 5 ↓

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

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