In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-N1-methyl-N1-[(1S)-1-methylbutyl]-N2-propyl-cyclopentane-1,2-diamine (1R,2S)-N1-methyl-N1-[(1S)-1-met…
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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) | 3.66 | 9.14 | -106.84 | 3 | 2 | 2 | 21 | 228.424 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 8.53 | -28.34 | 2 | 2 | 1 | 16 | 227.416 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 7.89 | -30 | 2 | 2 | 1 | 20 | 227.416 | 7 | ↓ |