| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-butyl-N1-ethyl-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) | 4.31 | 5.85 | -42.08 | 3 | 2 | 1 | 31 | 334.347 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 6.13 | -1.04 | 2 | 2 | 0 | 29 | 333.339 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 7.91 | -31.56 | 3 | 2 | 1 | 30 | 334.347 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 8.24 | -114.84 | 4 | 2 | 2 | 32 | 335.355 | 8 | ↓ |
