| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 15 | Yes |
Popular Name: (3S)-N1-(2-dimethylaminoethyl)-N3-methyl-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) | 1.64 | 5.28 | -91.13 | 3 | 3 | 2 | 24 | 217.401 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 6.11 | -107.25 | 3 | 3 | 2 | 21 | 217.401 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 2.81 | -35.78 | 2 | 3 | 1 | 23 | 216.393 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 4.91 | -103.26 | 3 | 3 | 2 | 24 | 217.401 | 9 | ↓ |
