In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 18 | Yes |
Popular Name: 3-[5-[(3aR,4R)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-3-thienyl]prop-2-yn-1-ol 3-[5-[(3aR,4R)-4,5,6,7-tetrahydr…
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) | 1.18 | 3.72 | -47.28 | 4 | 4 | 1 | 66 | 260.342 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 2.39 | -10.56 | 3 | 4 | 0 | 61 | 259.334 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.