UCSF

ZINC65530583

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-[(4R,5S)-1-allyl-5-methyl-pyrazolidin-4-yl]-1-[[(3S)-5-(methoxymethyl)-3H-pyrazol-3-yl]methyl]-4-p 5-[(4R,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 6.79 -32.1 2 7 1 68 393.515 8 ↓
Mid Mid (pH 6-8) 2.83 6.3 -11.49 1 7 0 67 392.507 8 ↓
Lo Low (pH 4.5-6) 2.83 7.35 -104.46 3 7 2 73 394.523 8 ↓
Lo Low (pH 4.5-6) 2.83 8.09 -100.18 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.