In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 20 | Yes |
Popular Name: 1-[(1S)-1-methylpropyl]-4-[(4-propyl-4-piperidyl)methyl]piperazine 1-[(1S)-1-methylpropyl]-4-[(4-pr…
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) | 2.79 | 7.73 | -84.61 | 3 | 3 | 2 | 24 | 283.504 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 6.03 | -38.9 | 2 | 3 | 1 | 23 | 282.496 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.