| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-methyl-N1-[2-(4-pyridyl)ethyl]butane-1,2-diamine (1S,2R)-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) | 3.01 | 6.54 | -47.95 | 3 | 3 | 1 | 44 | 369.352 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 6.3 | -4.4 | 2 | 3 | 0 | 42 | 368.344 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 7 | -95.11 | 4 | 3 | 2 | 45 | 370.36 | 7 | ↓ |
