| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | Yes |
Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-N1,N1-diethyl-propane-1,2-diamine (1R,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) | 2.71 | 4.16 | -43.72 | 3 | 2 | 1 | 31 | 292.266 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 5.44 | -32.85 | 3 | 2 | 1 | 30 | 292.266 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 3.96 | -2.5 | 2 | 2 | 0 | 29 | 291.258 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 6.21 | -108.15 | 4 | 2 | 2 | 32 | 293.274 | 5 | ↓ |
