| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 16 | Yes |
Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine 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) | 3.10 | 6.73 | -35.4 | 2 | 2 | 1 | 16 | 259.826 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 4.27 | -1.61 | 1 | 2 | 0 | 15 | 258.818 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 8.09 | -121.59 | 3 | 2 | 2 | 21 | 260.834 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
