UCSF

ZINC36123951

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 No

Popular Name: 2,2,2-trifluoro-1-[4-[(3S,5R)-4-(2-methoxyethyl)-3,5-dimethyl-piperazine-1-carbonyl]-1-piperidyl]eth 2,2,2-trifluoro-1-[4-[(3S,5R)-4-…

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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) 1.25 4.42 -11.03 0 6 0 53 379.423 5 ↓
Mid Mid (pH 6-8) 1.25 6.58 -45.97 1 6 1 54 380.431 5 ↓

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

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