| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-N1-methyl-N1-(3-thienylmethyl)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) | 3.49 | 7.93 | -38.52 | 3 | 2 | 1 | 30 | 360.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 6.48 | -48.24 | 3 | 2 | 1 | 31 | 360.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 8.22 | -125.93 | 4 | 2 | 2 | 32 | 361.374 | 6 | ↓ |
