In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 22 | Yes |
Popular Name: (2S)-N-cyclohexyl-2-[(3S)-3-(1,3-dioxolan-2-yl)-1-piperidyl]propanamide (2S)-N-cyclohexyl-2-[(3S)-3-(1,3…
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) | 2.26 | 6.49 | -34.2 | 2 | 5 | 1 | 52 | 311.446 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 4.3 | -10.73 | 1 | 5 | 0 | 51 | 310.438 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.