| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-(cyclopropylmethyl)-N1-propyl-propane-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) | 3.71 | 5.72 | -44.3 | 3 | 2 | 1 | 31 | 332.331 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 7.75 | -32.18 | 3 | 2 | 1 | 30 | 332.331 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 6.09 | -0.97 | 2 | 2 | 0 | 29 | 331.323 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 8.37 | -111.53 | 4 | 2 | 2 | 32 | 333.339 | 7 | ↓ |
