UCSF

ZINC66650060

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 21 No

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

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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) 0.47 7.35 -43.86 3 6 1 67 312.463 5 ↓
Hi High (pH 8-9.5) 1.20 5.07 -41.87 1 6 -1 63 310.447 5 ↓
Mid Mid (pH 6-8) 1.20 7.15 -56.9 2 6 0 64 311.455 5 ↓

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

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