| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(5-chloro-2-thienyl)-1-(4-isopropylpiperazin-1-yl)butan-2-amine (1R,2S)-1-(5-chloro-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) | 2.93 | 6.66 | -99.03 | 4 | 3 | 2 | 35 | 317.93 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 4.13 | -1.57 | 2 | 3 | 0 | 32 | 315.914 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 4.43 | -44.74 | 3 | 3 | 1 | 34 | 316.922 | 5 | ↓ |
