In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 21 | Yes |
Popular Name: 4-[5-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]pyrimidin-2-yl]morpholine 4-[5-[(4S)-4,5,6,7-tetrahydro-1H…
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) | 0.48 | 5.17 | -37.67 | 3 | 7 | 1 | 80 | 287.347 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.48 | 4.7 | -10.68 | 2 | 7 | 0 | 79 | 286.339 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.48 | 6.01 | -50.1 | 3 | 7 | 1 | 84 | 287.347 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.