In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 20 | Yes |
Popular Name: N-methyl-N-[(3R)-1-methyl-3-piperidyl]-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-methyl-N-[(3R)-1-methyl-3-pipe…
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) | 2.75 | 8.75 | -82.81 | 3 | 4 | 2 | 37 | 298.5 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 7.58 | -36.63 | 2 | 4 | 1 | 33 | 297.492 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 6.37 | -37.68 | 2 | 4 | 1 | 36 | 297.492 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 5.21 | -5.47 | 1 | 4 | 0 | 31 | 296.484 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.