In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 17 | Yes |
Popular Name: 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[[(2S,6S)-2,6-dimethylmorph…
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) | 0.77 | 2.39 | -39.96 | 2 | 4 | 1 | 42 | 256.395 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.77 | 0.94 | -4.56 | 1 | 4 | 0 | 37 | 255.387 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.77 | 4.35 | -91.3 | 3 | 4 | 2 | 43 | 257.403 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.