| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-1-(diethylamino)-3-[3-(N-methylanilino)propylamino]propan-2-ol (2S)-1-(diethylamino)-3-[3-(N-me…
| 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) | 1.88 | 7.05 | -106.35 | 4 | 4 | 2 | 45 | 295.471 | 11 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 5.61 | -34.66 | 3 | 4 | 1 | 40 | 294.463 | 11 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 7.57 | -45.08 | 3 | 4 | 1 | 47 | 294.463 | 11 | ↓ |
