| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N1-ethyl-1-(3-methyl-2-thienyl)-N1-(4-pyridylmethyl)butane-1,2-diamine (1R,2S)-N1-ethyl-1-(3-methyl-2-t…
| 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) | 2.43 | 7.02 | -121.25 | 4 | 3 | 2 | 45 | 305.491 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 5.59 | -3.94 | 2 | 3 | 0 | 42 | 303.475 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 7.91 | -33.94 | 3 | 3 | 1 | 43 | 304.483 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 5.76 | -41.39 | 3 | 3 | 1 | 44 | 304.483 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 6.41 | -98.76 | 4 | 3 | 2 | 45 | 305.491 | 7 | ↓ |
