| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: 2-[4-[(3R)-3-amino-3-(3-bromophenyl)propyl]piperazin-1-yl]ethanol 2-[4-[(3R)-3-amino-3-(3-bromophe…
| 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) | -0.23 | 0.55 | -49.27 | 4 | 4 | 1 | 54 | 343.289 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 0.21 | -5.3 | 3 | 4 | 0 | 53 | 342.281 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 2.48 | -40.24 | 4 | 4 | 1 | 54 | 343.289 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | 2.82 | -124.91 | 5 | 4 | 2 | 56 | 344.297 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
