UCSF

ZINC67050592

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 22 No

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

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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) 0.85 8.89 -45.63 3 6 1 67 326.49 6 ↓
Hi High (pH 8-9.5) 1.58 6.85 -41.6 1 6 -1 63 324.474 6 ↓
Mid Mid (pH 6-8) 1.58 8.2 -57.41 2 6 0 64 325.482 6 ↓

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

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