| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-[(2S)-2-methyl-1-piperidyl]butan-2-amine (1S,2S)-1-(5-bromo-2-thienyl)-1-…
| 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) | 3.74 | 5.42 | -43.12 | 3 | 2 | 1 | 31 | 332.331 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 5.1 | -1.3 | 2 | 2 | 0 | 29 | 331.323 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 7.3 | -30.14 | 3 | 2 | 1 | 30 | 332.331 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 7.55 | -109.21 | 4 | 2 | 2 | 32 | 333.339 | 4 | ↓ |
