| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N1-benzyl-1-(5-bromo-2-thienyl)-N1-methyl-butane-1,2-diamine (1R,2S)-N1-benzyl-1-(5-bromo-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) | 3.90 | 8.92 | -35.6 | 3 | 2 | 1 | 30 | 354.337 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.90 | 7.2 | -2.55 | 2 | 2 | 0 | 29 | 353.329 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.90 | 7.5 | -47.93 | 3 | 2 | 1 | 31 | 354.337 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.90 | 9.24 | -126.13 | 4 | 2 | 2 | 32 | 355.345 | 6 | ↓ |
