| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N1-[(2-bromophenyl)methyl]-N1-methyl-1-(3-methyl-2-thienyl)butane-1,2-diamine (1R,2S)-N1-[(2-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) | 4.10 | 7.55 | -38.11 | 3 | 2 | 1 | 31 | 368.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 7.53 | -3.42 | 2 | 2 | 0 | 29 | 367.356 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 9.32 | -29.88 | 3 | 2 | 1 | 30 | 368.364 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 9.65 | -111.55 | 4 | 2 | 2 | 32 | 369.372 | 6 | ↓ |
