| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-3-(4-isopropylpiperazin-1-yl)-N-methyl-1-phenyl-propan-1-amine (1S)-3-(4-isopropylpiperazin-1-y…
| 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) | 1.64 | 6.62 | -33.74 | 2 | 3 | 1 | 20 | 276.448 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 7.69 | -89.78 | 3 | 3 | 2 | 24 | 277.456 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 5.47 | -39.82 | 2 | 3 | 1 | 23 | 276.448 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 7.72 | -114.65 | 3 | 3 | 2 | 24 | 277.456 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
