In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 16 | No |
Popular Name: N-[[4-(thiomorpholinomethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(thiomorpholinomethyl)thia…
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) | 0.96 | 3.81 | -39.15 | 2 | 3 | 1 | 33 | 258.436 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.96 | 2.42 | -5.74 | 1 | 3 | 0 | 28 | 257.428 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 5.91 | -92.96 | 3 | 3 | 2 | 34 | 259.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.