UCSF

ZINC65530589

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 29 No

Popular Name: 5-[(4S,5S)-1-allyl-5-methyl-pyrazolidin-4-yl]-1-[[(3S)-5-(methoxymethyl)-3H-pyrazol-3-yl]methyl]-4-p 5-[(4S,5S)-1-allyl-5-methyl-pyra…

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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) 2.83 6.02 -38.62 2 7 1 68 393.515 8 ↓
Mid Mid (pH 6-8) 2.83 5.61 -13.66 1 7 0 67 392.507 8 ↓
Lo Low (pH 4.5-6) 2.83 6.51 -111.14 3 7 2 73 394.523 8 ↓
Lo Low (pH 4.5-6) 2.83 7.31 -99.71 3 7 2 69 394.523 8 ↓

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

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