| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1,N1-diisobutyl-1-(3-methyl-2-thienyl)propane-1,2-diamine (1S,2R)-N1,N1-diisobutyl-1-(3-me…
| 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) | 3.65 | 7.45 | -45.63 | 3 | 2 | 1 | 31 | 283.505 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 7.83 | -26.46 | 3 | 2 | 1 | 30 | 283.505 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 6.46 | -1.64 | 2 | 2 | 0 | 29 | 282.497 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.65 | 8.64 | -116.67 | 4 | 2 | 2 | 32 | 284.513 | 7 | ↓ |
