| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: (1S,2S)-N1-methyl-N1-[(2-methyl-3-furyl)methyl]cyclopentane-1,2-diamine (1S,2S)-N1-methyl-N1-[(2-methyl-…
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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) | 0.67 | 4.96 | -115.25 | 4 | 3 | 2 | 45 | 210.321 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 2.54 | -3.25 | 2 | 3 | 0 | 42 | 208.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 2.67 | -43.94 | 3 | 3 | 1 | 44 | 209.313 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 4.82 | -33.19 | 3 | 3 | 1 | 44 | 209.313 | 3 | ↓ |
