| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 13 | Yes |
Popular Name: (1S)-N-isopropyl-N-methyl-1-(3-thienyl)ethane-1,2-diamine (1S)-N-isopropyl-N-methyl-1-(3-t…
| 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) | 0.99 | 2.62 | -45.86 | 3 | 2 | 1 | 31 | 199.343 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 4.47 | -28.37 | 3 | 2 | 1 | 30 | 199.343 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 4.6 | -118.32 | 4 | 2 | 2 | 32 | 200.351 | 4 | ↓ |
