| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1S,2R)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N1-methyl-indane-1,2-diamine (1S,2R)-N2-(2-dimethylaminoethyl…
| 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) | 2.84 | 7.14 | -33.93 | 2 | 3 | 1 | 20 | 290.475 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 5.83 | -1.99 | 1 | 3 | 0 | 19 | 289.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 8.28 | -38.67 | 2 | 3 | 1 | 20 | 290.475 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 6.89 | -33.62 | 2 | 3 | 1 | 23 | 290.475 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 9.6 | -113.8 | 3 | 3 | 2 | 21 | 291.483 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.84 | 9.6 | -105.61 | 3 | 3 | 2 | 24 | 291.483 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.84 | 10.84 | -227.96 | 4 | 3 | 3 | 25 | 292.491 | 7 | ↓ |
