| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 18 | Yes |
Popular Name: (2S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-N',N',3-trimethyl-butane-1,2-diamine (2S)-N-[(1R)-1-(2,5-dimethyl-3-t…
| 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) | 3.23 | 8.75 | -33.46 | 2 | 2 | 1 | 16 | 269.478 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 7.66 | -2.04 | 1 | 2 | 0 | 15 | 268.47 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 7.61 | -36.16 | 2 | 2 | 1 | 20 | 269.478 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 9.66 | -121.21 | 3 | 2 | 2 | 21 | 270.486 | 6 | ↓ |
