| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N1-(2-dimethylaminoethyl)-N2-methyl-N1-propyl-cycloheptane-1,2-diamine (1S,2S)-N1-(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) | 2.93 | 5.21 | -29.06 | 2 | 3 | 1 | 20 | 256.458 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 5.09 | -32.04 | 2 | 3 | 1 | 23 | 256.458 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 6.22 | -34.44 | 2 | 3 | 1 | 20 | 256.458 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 7.69 | -105.55 | 3 | 3 | 2 | 21 | 257.466 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.93 | 9.02 | -209.28 | 4 | 3 | 3 | 25 | 258.474 | 7 | ↓ |
