In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 18 | Yes |
Popular Name: 5-[(3aR,4S)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-N,N-dimethyl-pyridin-2-amine 5-[(3aR,4S)-4,5,6,7-tetrahydro-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) | 0.99 | 4.81 | -34.97 | 3 | 5 | 1 | 58 | 244.322 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.99 | 4.33 | -10.03 | 2 | 5 | 0 | 57 | 243.314 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 5.15 | -81.53 | 4 | 5 | 2 | 59 | 245.33 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 4.63 | -27.04 | 3 | 5 | 1 | 58 | 244.322 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.