| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-N1-methyl-N1-[(1R)-1-methylbutyl]butane-1,2-diamine (1R,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) | 4.27 | 5.39 | -42.97 | 3 | 2 | 1 | 31 | 334.347 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.27 | 5.1 | -1.99 | 2 | 2 | 0 | 29 | 333.339 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.27 | 7.1 | -33.64 | 3 | 2 | 1 | 30 | 334.347 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.27 | 7.39 | -112.49 | 4 | 2 | 2 | 32 | 335.355 | 7 | ↓ |
