| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (1R,2S)-N2-(2-dimethylaminoethyl)-1-phenyl-N2-propyl-propane-1,2-diamine (1R,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) | 0.70 | 6.35 | -101.24 | 4 | 3 | 2 | 35 | 265.445 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 5.4 | -29.22 | 3 | 3 | 1 | 34 | 264.437 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 3.86 | -45.2 | 3 | 3 | 1 | 34 | 264.437 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 6.1 | -36.64 | 3 | 3 | 1 | 34 | 264.437 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 3.62 | -1.54 | 2 | 3 | 0 | 32 | 263.429 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 8.13 | -211.74 | 5 | 3 | 3 | 37 | 266.453 | 8 | ↓ |
