| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 15 | Yes |
Popular Name: (1S)-N-methyl-N-[(1R)-1-methylbutyl]-1-(2-thienyl)ethane-1,2-diamine (1S)-N-methyl-N-[(1R)-1-methylbu…
| 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) | 2.40 | 4.23 | -43.64 | 3 | 2 | 1 | 31 | 227.397 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 4.44 | -1.62 | 2 | 2 | 0 | 29 | 226.389 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 6 | -117.17 | 4 | 2 | 2 | 32 | 228.405 | 6 | ↓ |
