| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 19 | Yes |
Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine N-[(5-chloro-2-thienyl)methyl]-2…
| 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 | 5.63 | -31.85 | 2 | 3 | 1 | 20 | 302.895 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 3.73 | -1.71 | 1 | 3 | 0 | 19 | 301.887 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 4.99 | -43.22 | 2 | 3 | 1 | 23 | 302.895 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 7.47 | -97.8 | 3 | 3 | 2 | 24 | 303.903 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 6.9 | -122.37 | 3 | 3 | 2 | 24 | 303.903 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 5.5 | -33.35 | 2 | 3 | 1 | 20 | 302.895 | 5 | ↓ |
