| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-3-(4-tert-butylpiperazin-1-yl)-1-phenyl-propan-1-ol (1S)-3-(4-tert-butylpiperazin-1-…
| 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 | 5.74 | -31.44 | 2 | 3 | 1 | 28 | 277.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 5.85 | -36.85 | 2 | 3 | 1 | 28 | 277.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 3.61 | -3.53 | 1 | 3 | 0 | 27 | 276.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
