| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N1-[(3-bromophenyl)methyl]-N1-methyl-1-(3-methyl-2-thienyl)propane-1,2-diamine (1S,2S)-N1-[(3-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) | 3.59 | 7.11 | -39.07 | 3 | 2 | 1 | 31 | 354.337 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 8.8 | -37.97 | 3 | 2 | 1 | 30 | 354.337 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 6.72 | -3.36 | 2 | 2 | 0 | 29 | 353.329 | 5 | ↓ |
