In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2010 | 25 | Yes |
Popular Name: 1-phenyl-N-[[2-(1-piperidyl)-3-quinolyl]methyl]methanamine 1-phenyl-N-[[2-(1-piperidyl)-3-q…
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) | 4.18 | 12.32 | -50.61 | 2 | 3 | 1 | 33 | 332.471 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 11.1 | -7.21 | 1 | 3 | 0 | 28 | 331.463 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 12.75 | -103.24 | 3 | 3 | 2 | 34 | 333.479 | 5 | ↓ |