| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-[(4-bromo-2-thienyl)methyl]-N1-methyl-1-(5-methyl-2-thienyl)propane-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) | 3.29 | 6.37 | -36.42 | 3 | 2 | 1 | 31 | 360.366 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 6.7 | -2.79 | 2 | 2 | 0 | 29 | 359.358 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 8 | -34.77 | 3 | 2 | 1 | 30 | 360.366 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 8.27 | -118.15 | 4 | 2 | 2 | 32 | 361.374 | 5 | ↓ |
