| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine (1R,2S)-1-(5-bromo-2-thienyl)-1-…
| 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) | 2.66 | 5.86 | -105.01 | 4 | 3 | 2 | 35 | 348.354 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 5.81 | -117.89 | 4 | 3 | 2 | 35 | 348.354 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 4.01 | -1.74 | 2 | 3 | 0 | 32 | 346.338 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 5.52 | -34.22 | 3 | 3 | 1 | 34 | 347.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 4.29 | -45.79 | 3 | 3 | 1 | 34 | 347.346 | 4 | ↓ |
