UCSF

ZINC65502120

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 No

Popular Name: 1-methyl-2-[(1R)-2-methyl-1-[(4S,5S)-5-[(3S)-5-methyl-3H-pyrazol-3-yl]-4-phenyl-imidazolidin-1-yl]pr 1-methyl-2-[(1R)-2-methyl-1-[(4S…

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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) 3.13 5.1 -31.8 2 6 1 59 365.505 5 ↓
Hi High (pH 8-9.5) 3.13 4.66 -11.87 1 6 0 58 364.497 5 ↓
Mid Mid (pH 6-8) 3.13 7.7 -95.59 3 6 2 60 366.513 5 ↓
Mid Mid (pH 6-8) 3.13 6.42 -100.43 3 6 2 64 366.513 5 ↓
Lo Low (pH 4.5-6) 3.13 7.6 -34.5 2 6 1 59 365.505 5 ↓
Lo Low (pH 4.5-6) 3.13 9.04 -139.59 3 6 2 64 366.513 5 ↓

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

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