| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 17 | Yes |
Popular Name: (1S)-1-(3-bromo-2-thienyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]ethanamine (1S)-1-(3-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) | 3.49 | 6.92 | -33.68 | 2 | 2 | 1 | 16 | 318.304 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 4.59 | -2.19 | 1 | 2 | 0 | 15 | 317.296 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 5.7 | -36.81 | 2 | 2 | 1 | 20 | 318.304 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 8.04 | -107.85 | 3 | 2 | 2 | 21 | 319.312 | 5 | ↓ |
