UCSF

ZINC36126364

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 No

Popular Name: 1-[4-[(3S,5S)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazine-1-carbonyl]-1-piperidyl]-2,2,2-triflu 1-[4-[(3S,5S)-4-(2-dimethylamino…

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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) 1.30 6.71 -50.78 1 6 1 48 393.474 5 ↓
Hi High (pH 8-9.5) 1.30 4.24 -11.57 0 6 0 47 392.466 5 ↓
Lo Low (pH 4.5-6) 1.30 8.83 -129.97 2 6 2 49 394.482 5 ↓

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

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