| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 18 | Yes |
Popular Name: (1S)-N-benzyl-N-ethyl-1-(3-thienyl)ethane-1,2-diamine (1S)-N-benzyl-N-ethyl-1-(3-thien…
| 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) | 2.09 | 7.61 | -30.62 | 3 | 2 | 1 | 30 | 261.414 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 5.3 | -2.96 | 2 | 2 | 0 | 29 | 260.406 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 5.56 | -50.19 | 3 | 2 | 1 | 31 | 261.414 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.09 | 7.11 | -120.31 | 4 | 2 | 2 | 32 | 262.422 | 6 | ↓ |
