In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 21 | Yes |
Popular Name: N,4-dimethyl-N-[(3R)-1-methyl-3-piperidyl]-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N,4-dimethyl-N-[(3R)-1-methyl-3-…
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) | 2.97 | 9.22 | -81.82 | 3 | 4 | 2 | 37 | 312.527 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 6.85 | -38.12 | 2 | 4 | 1 | 36 | 311.519 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 5.64 | -5.04 | 1 | 4 | 0 | 31 | 310.511 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 8.01 | -37.07 | 2 | 4 | 1 | 33 | 311.519 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.