| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-N1-methyl-N1-(3-pyridylmethyl)butane-1,2-diamine (1S,2S)-1-(5-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) | 2.66 | 5.54 | -43.11 | 3 | 3 | 1 | 44 | 355.325 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 5.31 | -4.33 | 2 | 3 | 0 | 42 | 354.317 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 7.31 | -40.09 | 3 | 3 | 1 | 43 | 355.325 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 7.67 | -128.31 | 4 | 3 | 2 | 45 | 356.333 | 6 | ↓ |
