UCSF

ZINC61462164

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 27 Yes

Popular Name: 3-(3-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one 3-(3-methoxyphenyl)-1-[(2S)-2-(5…

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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) 4.02 9.76 -15.91 1 5 0 58 363.461 5 ↓
Lo Low (pH 4.5-6) 4.02 10.27 -30.56 2 5 1 59 364.469 5 ↓

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

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