In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2008 | 29 | Yes |
Popular Name: 2-phenylsulfanyl-1-[(1R)-1-(2-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone 2-phenylsulfanyl-1-[(1R)-1-(2-py…
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) | 4.16 | 12.27 | -13.08 | 1 | 4 | 0 | 49 | 399.519 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.16 | 12.4 | -41.18 | 2 | 4 | 1 | 50 | 400.527 | 4 | ↓ |