In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2010 | 18 | Yes |
Popular Name: (1S)-2-isobutyl-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (1S)-2-isobutyl-1-methyl-1,3,4,9…
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) | 3.85 | 9.44 | -35.9 | 2 | 2 | 1 | 20 | 243.374 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.85 | 7.59 | -4.33 | 1 | 2 | 0 | 19 | 242.366 | 2 | ↓ |