In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 21 | Yes |
Popular Name: 3-(4-tert-butylpiperazin-1-yl)-1-(p-tolyl)propan-1-one 3-(4-tert-butylpiperazin-1-yl)-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) | 3.29 | 8.56 | -35.65 | 1 | 3 | 1 | 25 | 289.443 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 6.42 | -6.32 | 0 | 3 | 0 | 24 | 288.435 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.