| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S,4S)-N3-(2-dimethylaminoethyl)-N4-ethyl-N3-propyl-heptane-3,4-diamine (3S,4S)-N3-(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) | 3.70 | 7.99 | -93.11 | 3 | 3 | 2 | 24 | 273.509 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 5.51 | -32.73 | 2 | 3 | 1 | 23 | 272.501 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.70 | 9.49 | -197.82 | 4 | 3 | 3 | 25 | 274.517 | 12 | ↓ |
