| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 17 | Yes |
Popular Name: (2S)-N1-[(1R)-1-(5-bromo-2-thienyl)ethyl]-N2,N2,3-trimethyl-butane-1,2-diamine (2S)-N1-[(1R)-1-(5-bromo-2-thien…
| 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) | 4.03 | 8.72 | -32.58 | 2 | 2 | 1 | 16 | 320.32 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 6.71 | -1.69 | 1 | 2 | 0 | 15 | 319.312 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 6.93 | -37.65 | 2 | 2 | 1 | 20 | 320.32 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 8.09 | -116.64 | 3 | 2 | 2 | 21 | 321.328 | 6 | ↓ |
