UCSF

ZINC49348126

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 Yes

Popular Name: 5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-dihydro-1,2,4-triazole-3-carboxamide 5-oxo-N-[2-(2-oxoazepan-1-yl)eth…

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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) -0.90 0.17 -14.91 3 8 0 111 267.289 4 ↓
Mid Mid (pH 6-8) -0.44 -2.37 -53.06 2 8 -1 114 266.281 4 ↓
Lo Low (pH 4.5-6) -0.44 -1.28 -28.95 3 8 0 115 267.289 4 ↓

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

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