| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 17 | Yes |
Popular Name: (1R,2R)-1-(4-bromo-2-thienyl)-1-[(2S)-2-methyl-1-piperidyl]propan-2-amine (1R,2R)-1-(4-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) | 3.01 | 4.84 | -41.15 | 3 | 2 | 1 | 31 | 318.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 6.21 | -30.77 | 3 | 2 | 1 | 30 | 318.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 4.53 | -1.13 | 2 | 2 | 0 | 29 | 317.296 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 6.54 | -110.03 | 4 | 2 | 2 | 32 | 319.312 | 3 | ↓ |
