| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-[(4-bromo-2-thienyl)methyl]-1-(5-chloro-2-thienyl)-N1-methyl-butane-1,2-diamine (1S,2R)-N1-[(4-bromo-2-thienyl)m…
| 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) | 4.40 | 7.14 | -49.82 | 3 | 2 | 1 | 31 | 394.811 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.40 | 6.94 | -3.74 | 2 | 2 | 0 | 29 | 393.803 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 8.6 | -37.57 | 3 | 2 | 1 | 30 | 394.811 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 8.93 | -128.65 | 4 | 2 | 2 | 32 | 395.819 | 6 | ↓ |
