UCSF

ZINC53609413

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 16 Yes

Popular Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(4-methyl-1,2,4-triazol-3-yl)…

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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) 0.19 6.06 -45.55 2 5 1 57 243.356 6 ↓
Hi High (pH 8-9.5) 0.19 4.64 -12.13 1 5 0 52 242.348 6 ↓

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

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