In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 19 | Yes |
Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[(2S,6S)-2,6-dimethylmorp…
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) | 1.65 | 4 | -39.78 | 2 | 4 | 1 | 42 | 284.449 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.65 | 2.64 | -5.4 | 1 | 4 | 0 | 37 | 283.441 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 5.96 | -92.34 | 3 | 4 | 2 | 43 | 285.457 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.