| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-isopentyl-N1-methyl-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) | 4.15 | 6.57 | -43.97 | 3 | 2 | 1 | 31 | 334.347 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 6.27 | -1.23 | 2 | 2 | 0 | 29 | 333.339 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 8.05 | -36.03 | 3 | 2 | 1 | 30 | 334.347 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 8.35 | -119.82 | 4 | 2 | 2 | 32 | 335.355 | 7 | ↓ |
