| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1-ethyl-1-(p-tolyl)-N1-(2-thienylmethyl)butane-1,2-diamine (1S,2S)-N1-ethyl-1-(p-tolyl)-N1-…
| 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) | 3.79 | 9.46 | -112.73 | 4 | 2 | 2 | 32 | 304.503 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 7.35 | -39.88 | 3 | 2 | 1 | 31 | 303.495 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 9.13 | -30.64 | 3 | 2 | 1 | 30 | 303.495 | 7 | ↓ |
