UCSF

ZINC66640803

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 22 No

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

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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) 0.13 5.7 -14.07 2 6 0 66 321.45 5 ↓
Mid Mid (pH 6-8) 0.86 5.5 -42.97 1 6 -1 63 320.442 5 ↓
Lo Low (pH 4.5-6) 0.13 7.98 -50.93 3 6 1 67 322.458 5 ↓

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

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