| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N2-(2-dimethylaminoethyl)-N1-methyl-N2-propyl-indane-1,2-diamine (1S,2S)-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) | 2.60 | 5.52 | -34.13 | 2 | 3 | 1 | 20 | 276.448 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 3.51 | -2.62 | 1 | 3 | 0 | 19 | 275.44 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 6 | -32.38 | 2 | 3 | 1 | 20 | 276.448 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 8 | -103.78 | 3 | 3 | 2 | 21 | 277.456 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 4.71 | -38.68 | 2 | 3 | 1 | 23 | 276.448 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 9.2 | -200.65 | 4 | 3 | 3 | 25 | 278.464 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 7.2 | -87.35 | 3 | 3 | 2 | 24 | 277.456 | 7 | ↓ |
