UCSF

ZINC52503670

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Popular Name: (3S)-N1,N3-dicyclopropyl-N3-(2,2,2-trifluoroethyl)butane-1,3-diamine (3S)-N1,N3-dicyclopropyl-N3-(2,2…

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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) 2.38 5.97 -35.13 2 2 1 20 251.316 8 ↓
Lo Low (pH 4.5-6) 2.38 7.4 -104.29 3 2 2 21 252.324 8 ↓

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

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