In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 27 | Yes |
Popular Name: 1-[(1S)-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-(2-thienyl)ethanone 1-[(1S)-1-(3-pyridyl)-1,3,4,9-te…
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) | 3.74 | 10.34 | -14.56 | 1 | 4 | 0 | 49 | 373.481 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 10.78 | -45.11 | 2 | 4 | 1 | 50 | 374.489 | 3 | ↓ |