| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 17 | Yes |
Popular Name: (2S)-N2-[(1R)-1-(5-bromo-2-thienyl)ethyl]-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-[(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) | 4.00 | 7.89 | -34.26 | 2 | 2 | 1 | 16 | 320.32 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.00 | 6.17 | -0.89 | 1 | 2 | 0 | 15 | 319.312 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 9.01 | -105.99 | 3 | 2 | 2 | 21 | 321.328 | 7 | ↓ |
