| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: 2-[4-[(3S)-3-(4-bromophenyl)-3-(methylamino)propyl]piperazin-1-yl]ethanol 2-[4-[(3S)-3-(4-bromophenyl)-3-(…
| 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) | 1.15 | 2.21 | -46.05 | 3 | 4 | 1 | 43 | 357.316 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 1.1 | -4.66 | 2 | 4 | 0 | 39 | 356.308 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 3.36 | -41.35 | 3 | 4 | 1 | 40 | 357.316 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 4.45 | -122.34 | 4 | 4 | 2 | 45 | 358.324 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
