| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (1S)-N-(2-dimethylaminoethyl)-N-propyl-1-(3-pyridyl)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) | 0.40 | 3.62 | -113.72 | 4 | 4 | 2 | 48 | 252.406 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 1.14 | -46.35 | 3 | 4 | 1 | 47 | 251.398 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 3.48 | -36.28 | 3 | 4 | 1 | 47 | 251.398 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.40 | 4.14 | -185.36 | 5 | 4 | 3 | 49 | 253.414 | 8 | ↓ |
