| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-[(4-bromo-2-thienyl)methyl]-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) | 4.53 | 7.28 | -50.33 | 3 | 2 | 1 | 31 | 439.262 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.53 | 6.95 | -3.26 | 2 | 2 | 0 | 29 | 438.254 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 8.71 | -37.6 | 3 | 2 | 1 | 30 | 439.262 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 9.04 | -129.15 | 4 | 2 | 2 | 32 | 440.27 | 6 | ↓ |
