UCSF

ZINC63958826

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 25 No

Popular Name: 1-ethyl-N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]-2,3-dihydrobenzotriazole-5-carboxamide 1-ethyl-N-[3-(2-pyridyl)-1H-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) 1.44 5.17 -59.12 3 9 -1 126 335.351 4 ↓
Mid Mid (pH 6-8) 1.37 6.64 -16.99 4 9 0 120 336.359 4 ↓
Mid Mid (pH 6-8) 1.37 6.47 -58.82 3 9 -1 118 335.351 4 ↓
Lo Low (pH 4.5-6) 1.37 6.7 -45.46 5 9 1 112 337.367 4 ↓

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

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