UCSF

ZINC52574480

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 Yes

Popular Name: N-[[(2S,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-[(3,5-dimethyl-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) 0.31 6.27 -43.55 2 5 1 57 253.37 6 ↓
Lo Low (pH 4.5-6) 0.31 6.7 -87.69 3 5 2 58 254.378 6 ↓

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Rings

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

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