| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 17 | Yes |
Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]ethanamine (1S)-1-(5-bromo-2-thienyl)-N-[[(…
| 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) | 3.68 | 7.14 | -35.11 | 2 | 2 | 1 | 16 | 318.304 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 4.82 | -1.95 | 1 | 2 | 0 | 15 | 317.296 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 5.93 | -40.97 | 2 | 2 | 1 | 20 | 318.304 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 8.28 | -113.73 | 3 | 2 | 2 | 21 | 319.312 | 5 | ↓ |
