| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 18 | Yes |
Popular Name: (2S)-N1-[(1R)-1-(5-bromo-2-thienyl)ethyl]-N2,N2,4-trimethyl-pentane-1,2-diamine (2S)-N1-[(1R)-1-(5-bromo-2-thien…
| 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) | 4.56 | 9.5 | -33.79 | 2 | 2 | 1 | 16 | 334.347 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.56 | 7.28 | -37.25 | 2 | 2 | 1 | 20 | 334.347 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.56 | 9.19 | -120.22 | 3 | 2 | 2 | 21 | 335.355 | 7 | ↓ |
