| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-met…
| 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) | 1.74 | 4.47 | -30.9 | 3 | 3 | 1 | 40 | 320.276 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.49 | -3.07 | 2 | 3 | 0 | 38 | 319.268 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 2.88 | -42.56 | 3 | 3 | 1 | 40 | 320.276 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.83 | -121.99 | 4 | 3 | 2 | 41 | 321.284 | 5 | ↓ |
