| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 17 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-ethyl-N-[(1S)-2-methoxy-1-methyl-ethyl]ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-eth…
| 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) | 2.06 | 3.12 | -50.68 | 3 | 3 | 1 | 40 | 322.292 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 2.67 | -2.88 | 2 | 3 | 0 | 38 | 321.284 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 5.21 | -26.4 | 3 | 3 | 1 | 40 | 322.292 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 5.18 | -122.95 | 4 | 3 | 2 | 41 | 323.3 | 7 | ↓ |
