| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-N1-isobutyl-N1-isopropyl-1-(5-methyl-2-thienyl)propane-1,2-diamine (1S,2R)-N1-isobutyl-N1-isopropyl…
| 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) | 3.05 | 5.3 | -40.27 | 3 | 2 | 1 | 31 | 269.478 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 6.83 | -28.84 | 3 | 2 | 1 | 30 | 269.478 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 4.98 | -1.15 | 2 | 2 | 0 | 29 | 268.47 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 7.39 | -114.85 | 4 | 2 | 2 | 32 | 270.486 | 6 | ↓ |
