| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-ethyl-N1-propyl-butane-1,2-diamine (1S,2R)-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) | 3.75 | 5.74 | -42.78 | 3 | 2 | 1 | 31 | 320.32 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 4.73 | -0.88 | 2 | 2 | 0 | 29 | 319.312 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 7.16 | -33 | 3 | 2 | 1 | 30 | 320.32 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 7.46 | -113.68 | 4 | 2 | 2 | 32 | 321.328 | 7 | ↓ |
