In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2009 | 20 | Yes |
Popular Name: (1S)-1-methyl-1-(2-pyridyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole (1S)-1-methyl-1-(2-pyridyl)-2,3,…
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) | 2.98 | 6.23 | -9.28 | 2 | 3 | 0 | 41 | 263.344 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.98 | 7.47 | -45.86 | 3 | 3 | 1 | 45 | 264.352 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.98 | 6.68 | -33.32 | 3 | 3 | 1 | 42 | 264.352 | 1 | ↓ |