| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 17 | Yes |
Popular Name: (1S,3S)-1-(5-ethyl-2-thienyl)-3,5,5-trimethyl-hexan-1-amine (1S,3S)-1-(5-ethyl-2-thienyl)-3,…
| 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) | 3.11 | 8.19 | -42.68 | 3 | 1 | 1 | 28 | 254.463 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 8.44 | -1.34 | 2 | 1 | 0 | 26 | 253.455 | 6 | ↓ |
