| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-[(3S)-3-methylpyrrolidin-1-yl]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) | 3.38 | 5.38 | -36.45 | 3 | 2 | 1 | 31 | 318.304 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 5.04 | -1.61 | 2 | 2 | 0 | 29 | 317.296 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 7.34 | -34.44 | 3 | 2 | 1 | 30 | 318.304 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 7.63 | -116.35 | 4 | 2 | 2 | 32 | 319.312 | 4 | ↓ |
