In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: N-[4-[[[(1S)-cyclohex-3-en-1-yl]methylamino]methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[[[(1S)-cyclohex-3-en-1-yl]…
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) | 2.43 | 8.34 | -43.67 | 2 | 4 | 1 | 50 | 294.444 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 6.98 | -15.6 | 1 | 4 | 0 | 45 | 293.436 | 6 | ↓ |