In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 17 | Yes |
Popular Name: 2-[(3aR,4S)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-6-methyl-phenol 2-[(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) | 1.92 | 3.89 | -42.1 | 4 | 4 | 1 | 66 | 230.291 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 2.74 | -8.34 | 3 | 4 | 0 | 61 | 229.283 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 3.21 | -35.54 | 4 | 4 | 1 | 62 | 230.291 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 4.62 | -103.34 | 5 | 4 | 2 | 67 | 231.299 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.