In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 28 | Yes |
Popular Name: (1R)-1-(6-methyl-2-pyridyl)-2-(3-pyrazol-1-ylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (1R)-1-(6-methyl-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) | 3.18 | 0.72 | -39.01 | 2 | 5 | 1 | 51 | 372.496 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.18 | 0.92 | -112.7 | 3 | 5 | 2 | 52 | 373.504 | 5 | ↓ |