| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 20 | Yes |
Popular Name: N-[(1S)-1-(5-bromo-2-thienyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine N-[(1S)-1-(5-bromo-2-thienyl)eth…
| 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) | 3.62 | 6.24 | -30.34 | 2 | 3 | 1 | 20 | 361.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 3.97 | -2.08 | 1 | 3 | 0 | 19 | 360.365 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 5.51 | -38.72 | 2 | 3 | 1 | 23 | 361.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 6.34 | -32.8 | 2 | 3 | 1 | 20 | 361.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 7.87 | -94.56 | 3 | 3 | 2 | 24 | 362.381 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 7.29 | -115.37 | 3 | 3 | 2 | 24 | 362.381 | 5 | ↓ |
