| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(4-bromo-2-thienyl)-N1,N1-bis(2-methoxyethyl)butane-1,2-diamine (1S,2S)-1-(4-bromo-2-thienyl)-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) | 2.27 | 3.71 | -39.74 | 3 | 4 | 1 | 49 | 366.345 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 3.41 | -3.24 | 2 | 4 | 0 | 48 | 365.337 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 4.27 | -32.13 | 3 | 4 | 1 | 49 | 366.345 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.3 | -107.35 | 4 | 4 | 2 | 51 | 367.353 | 10 | ↓ |
