In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 18 | Yes |
Popular Name: (3aS,4S)-4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridine (3aS,4S)-4-(1,3-benzodioxol-5-yl…
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) | 1.34 | 2.84 | -56.4 | 2 | 5 | 1 | 60 | 244.274 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.34 | 1.6 | -10.97 | 1 | 5 | 0 | 55 | 243.266 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.