| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 14 | Yes |
Popular Name: (1R)-N-isobutyl-N-methyl-1-(2-thienyl)ethane-1,2-diamine (1R)-N-isobutyl-N-methyl-1-(2-th…
| 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) | 1.75 | 3.29 | -44.89 | 3 | 2 | 1 | 31 | 213.37 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 5.19 | -31.07 | 3 | 2 | 1 | 30 | 213.37 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 5.59 | -120.87 | 4 | 2 | 2 | 32 | 214.378 | 5 | ↓ |
