In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 19 | Yes |
Popular Name: [1-(4-isobutylpiperazin-1-yl)cycloheptyl]methanamine [1-(4-isobutylpiperazin-1-yl)cyc…
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) | 2.64 | 5.96 | -100.63 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 4.16 | -40.77 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.