| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 14 | Yes |
Popular Name: (3S)-N1-(2-dimethylaminoethyl)-N1-propyl-butane-1,3-diamine (3S)-N1-(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) | 0.73 | 3.54 | -91.56 | 4 | 3 | 2 | 35 | 203.374 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 2.9 | -30.63 | 3 | 3 | 1 | 34 | 202.366 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 5.38 | -101.56 | 4 | 3 | 2 | 35 | 203.374 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 1.07 | -41.14 | 3 | 3 | 1 | 34 | 202.366 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 3.2 | -108.23 | 4 | 3 | 2 | 35 | 203.374 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 5.66 | -200.09 | 5 | 3 | 3 | 37 | 204.382 | 8 | ↓ |
