In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 19 | Yes |
Popular Name: (3aR)-5-benzylsulfonyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine (3aR)-5-benzylsulfonyl-3a,4,6,7-…
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) | 1.22 | 4.81 | -15.05 | 1 | 5 | 0 | 66 | 277.349 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 5.28 | -46.18 | 2 | 5 | 1 | 67 | 278.357 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 5.28 | -46.29 | 2 | 5 | 1 | 67 | 278.357 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.