| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N1-[(4-bromophenyl)methyl]-N1-methyl-1-(3-methyl-2-thienyl)propane-1,2-diamine (1R,2S)-N1-[(4-bromophenyl)methy…
| 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) | 3.61 | 6.63 | -47.16 | 3 | 2 | 1 | 31 | 354.337 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 8.53 | -35.1 | 3 | 2 | 1 | 30 | 354.337 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 6.75 | -2.1 | 2 | 2 | 0 | 29 | 353.329 | 5 | ↓ |
