| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 21 | Yes |
Popular Name: (1S)-N'-(2-dimethylaminoethyl)-1-(3-methoxyphenyl)-N-methyl-N'-propyl-ethane-1,2-diamine (1S)-N'-(2-dimethylaminoethyl)-1…
| 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) | 2.65 | 7.18 | -95.96 | 3 | 4 | 2 | 34 | 295.471 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 5.61 | -36.97 | 2 | 4 | 1 | 29 | 294.463 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 4.7 | -37.09 | 2 | 4 | 1 | 32 | 294.463 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 6.15 | -36.86 | 2 | 4 | 1 | 29 | 294.463 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.65 | 9.23 | -223.68 | 4 | 4 | 3 | 35 | 296.479 | 10 | ↓ |
