UCSF

ZINC53313264

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 40 No

Popular Name: N-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-a]p N-[4-[[(3S)-3-(dimethylamino)pyr…

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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) 5.01 16.43 -49.6 2 6 1 54 546.617 6 ↓
Hi High (pH 8-9.5) 5.01 14.03 -16.24 1 6 0 53 545.609 6 ↓
Lo Low (pH 4.5-6) 5.01 18.2 -156.48 4 6 3 57 548.633 6 ↓
Lo Low (pH 4.5-6) 5.01 16.92 -75.3 3 6 2 55 547.625 6 ↓

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Rings

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

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