In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 17 | Yes |
Popular Name: 1-methyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]piperazine 1-methyl-4-[[(3S)-3-propyl-3-pip…
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) | 1.58 | 5.94 | -81 | 3 | 3 | 2 | 24 | 241.423 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 3.57 | -38.57 | 2 | 3 | 1 | 23 | 240.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.