In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 29 | Yes |
Popular Name: 2-phenylsulfanyl-1-[(1R)-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone 2-phenylsulfanyl-1-[(1R)-1-(3-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) | 4.09 | 11.72 | -15.2 | 1 | 4 | 0 | 49 | 399.519 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 12.16 | -46.57 | 2 | 4 | 1 | 50 | 400.527 | 4 | ↓ |