In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (1R,2R)-N1-ethyl-N2-methyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentane-1,2-diamine (1R,2R)-N1-ethyl-N2-methyl-N2-[[…
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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) | 1.76 | 6.66 | -102.71 | 3 | 3 | 2 | 30 | 228.38 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 3.29 | -1.91 | 1 | 3 | 0 | 24 | 226.364 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 4.37 | -32.7 | 2 | 3 | 1 | 29 | 227.372 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 5.58 | -30.9 | 2 | 3 | 1 | 26 | 227.372 | 5 | ↓ |