In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 18 | Yes |
Popular Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one 1-[4-(cyclopropanecarbonyl)piper…
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) | 0.34 | 4.12 | -53.4 | 2 | 5 | 1 | 57 | 254.354 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.34 | 3.97 | -12.06 | 1 | 5 | 0 | 53 | 253.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.