| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 21 | Yes |
Popular Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(2-chlorophenyl)methyl]pip…
| 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) | 2.50 | 6.55 | -28.38 | 3 | 4 | 1 | 47 | 303.817 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 8.79 | -87.76 | 4 | 4 | 2 | 48 | 304.825 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 8.33 | -32.65 | 3 | 4 | 1 | 47 | 303.817 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.08 | -5.49 | 2 | 4 | 0 | 45 | 302.809 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
