UCSF

ZINC36123947

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 No

Popular Name: 2,2,2-trifluoro-1-[(2S)-2-[(3R,5R)-4-(2-methoxyethyl)-3,5-dimethyl-piperazine-1-carbonyl]pyrrolidin- 2,2,2-trifluoro-1-[(2S)-2-[(3R,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) 0.87 4.35 -13.22 0 6 0 53 365.396 5 ↓
Mid Mid (pH 6-8) 0.87 6.4 -44.85 1 6 1 54 366.404 5 ↓

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

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