UCSF

ZINC53613788

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 Yes

Popular Name: (1S)-1-(2-thienyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]ethanamine (1S)-1-(2-thienyl)-N-[2-(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) 1.95 6.33 -44.79 3 4 1 58 255.392 6 ↓
Mid Mid (pH 6-8) 1.95 5.11 -6.2 2 4 0 54 254.384 6 ↓

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

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