| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-N1-isobutyl-N1-(2-methoxyethyl)butane-1,2-diamine (1S,2S)-1-(5-chloro-2-thienyl)-N…
| 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) | 3.47 | 6.48 | -33.38 | 3 | 3 | 1 | 40 | 319.922 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 6.04 | -44.5 | 3 | 3 | 1 | 40 | 319.922 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 5.74 | -1.95 | 2 | 3 | 0 | 38 | 318.914 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 6.77 | -115.9 | 4 | 3 | 2 | 41 | 320.93 | 9 | ↓ |
