UCSF

ZINC69737390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 Yes

Popular Name: (2S)-1-methyl-1'-(2,2,2-trifluoroethyl)spiro[3H-quinazoline-2,3'-pyrrolidine]-4-one (2S)-1-methyl-1'-(2,2,2-trifluor…

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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) 2.18 3.03 -11.46 1 4 0 36 299.296 2 ↓
Lo Low (pH 4.5-6) 2.18 5.51 -49.45 2 4 1 37 300.304 2 ↓

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

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