| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (1S)-N'-(2-dimethylaminoethyl)-N'-isobutyl-N-methyl-1-phenyl-ethane-1,2-diamine (1S)-N'-(2-dimethylaminoethyl)-N…
| 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) | 2.86 | 9.32 | -101.54 | 3 | 3 | 2 | 24 | 279.472 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 7 | -34.56 | 2 | 3 | 1 | 20 | 278.464 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 6.85 | -35.55 | 2 | 3 | 1 | 23 | 278.464 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 8.26 | -36.97 | 2 | 3 | 1 | 20 | 278.464 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 9.47 | -114.01 | 3 | 3 | 2 | 21 | 279.472 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.86 | 10.6 | -227.75 | 4 | 3 | 3 | 25 | 280.48 | 9 | ↓ |
