| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 21 | Yes |
Popular Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]pyridin-3-amine 2-[4-[(3-bromophenyl)methyl]pipe…
| 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) | 2.65 | 6.7 | -28.31 | 3 | 4 | 1 | 47 | 348.268 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 8.93 | -93.82 | 4 | 4 | 2 | 48 | 349.276 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 8.47 | -40.4 | 3 | 4 | 1 | 47 | 348.268 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 6.24 | -5.99 | 2 | 4 | 0 | 45 | 347.26 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
