In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 18 | Yes |
Popular Name: 2-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]pyrazol-1-yl]-N-methyl-acetamide 2-[4-[[(1S)-cyclohex-3-en-1-yl]m…
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) | 1.08 | 3.79 | -14.56 | 2 | 5 | 0 | 59 | 248.33 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.08 | 4.23 | -50.6 | 3 | 5 | 1 | 64 | 249.338 | 5 | ↓ |