| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-N1-ethyl-N1-(4-pyridylmethyl)propane-1,2-diamine (1S,2R)-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) | 2.25 | 5.08 | -46.34 | 3 | 3 | 1 | 44 | 355.325 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 4.72 | -5.01 | 2 | 3 | 0 | 42 | 354.317 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 6.56 | -39.74 | 3 | 3 | 1 | 43 | 355.325 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 5.49 | -102.96 | 4 | 3 | 2 | 45 | 356.333 | 6 | ↓ |
