UCSF

ZINC49568155

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 Yes

Popular Name: (1S,8R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[[1-(difluoromethyl)im…

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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) 0.75 6.1 -105.04 3 4 2 39 258.316 4 ↓
Hi High (pH 8-9.5) 0.75 2.42 -7.21 1 4 0 33 256.3 4 ↓
Mid Mid (pH 6-8) 0.75 4.94 -36.48 2 4 1 34 257.308 4 ↓
Lo Low (pH 4.5-6) 0.75 5.34 -81.52 3 4 2 36 258.316 4 ↓

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

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