| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-N1-isobutyl-N1-(2-methoxyethyl)butane-1,2-diamine (1R,2S)-1-(5-bromo-2-thienyl)-N1…
| 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) | 3.61 | 7.35 | -30.88 | 3 | 3 | 1 | 40 | 364.373 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 5.79 | -45.83 | 3 | 3 | 1 | 40 | 364.373 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 5.68 | -1.68 | 2 | 3 | 0 | 38 | 363.365 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 7.65 | -105.59 | 4 | 3 | 2 | 41 | 365.381 | 9 | ↓ |
