In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2011 | 21 | Yes |
Popular Name: N-[2-[(3S)-1-(1H-imidazol-4-ylmethyl)-3-piperidyl]ethyl]-2,2-dimethyl-propanamide N-[2-[(3S)-1-(1H-imidazol-4-ylme…
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) | 2.15 | 7.76 | -42.46 | 3 | 5 | 1 | 62 | 293.435 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 8.23 | -111.54 | 4 | 5 | 2 | 63 | 294.443 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.