| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-N1,N2-dimethyl-N2-(3-pyridylmethyl)cyclopentane-1,2-diamine (1R,2S)-N1,N2-dimethyl-N2-(3-pyr…
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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) | 1.17 | 6.82 | -113 | 3 | 3 | 2 | 34 | 221.348 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 4.83 | -2.59 | 1 | 3 | 0 | 28 | 219.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 5.2 | -34.29 | 2 | 3 | 1 | 33 | 220.34 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 6.31 | -34.25 | 2 | 3 | 1 | 29 | 220.34 | 4 | ↓ |
