UCSF

ZINC48630891

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 15 Yes

Popular Name: (1S)-1-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(1H-imidazol-4-yl)ethanamine (1S)-1-(5-ethyl-1H-1,2,4-triazol…

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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) -2.32 1.74 -35.02 4 6 0 96 206.253 4 ↓
Hi High (pH 8-9.5) -2.32 1.59 -11.89 4 6 0 96 206.253 4 ↓
Hi High (pH 8-9.5) -2.32 1.76 -35.87 4 6 0 96 206.253 4 ↓
Mid Mid (pH 6-8) -2.32 1.75 -35.86 4 6 0 96 206.253 4 ↓
Mid Mid (pH 6-8) -2.32 2.04 -52.5 5 6 1 98 207.261 4 ↓
Mid Mid (pH 6-8) -2.32 1.87 -40.83 5 6 1 98 207.261 4 ↓
Mid Mid (pH 6-8) -2.32 2.06 -47.93 5 6 1 98 207.261 4 ↓
Lo Low (pH 4.5-6) -2.32 2.61 -117.96 6 6 2 99 208.269 4 ↓
Lo Low (pH 4.5-6) -2.32 2.44 -102.38 6 6 2 99 208.269 4 ↓

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

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