In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2011 | 20 | Yes |
Popular Name: 2-[(3S)-3-methyl-1-piperidyl]quinoline-3-carboxamidine 2-[(3S)-3-methyl-1-piperidyl]qui…
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) | 1.85 | 6.82 | -37.92 | 4 | 4 | 1 | 68 | 269.372 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 7.81 | -8.13 | 3 | 4 | 0 | 66 | 268.364 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.