| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: 4-[(1S)-1-[3-(4-methylpiperazin-1-yl)propylamino]ethyl]phenol 4-[(1S)-1-[3-(4-methylpiperazin-…
| 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) | 1.77 | 4.75 | -92.57 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 3.07 | -66.31 | 2 | 4 | 0 | 46 | 277.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 4.62 | -113.33 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 2.28 | -44.9 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
