In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 19 | Yes |
Popular Name: (4S)-2-methyl-1-[2-(3-pyridyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine (4S)-2-methyl-1-[2-(3-pyridyl)et…
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) | -0.05 | 7.11 | -42.25 | 3 | 3 | 1 | 45 | 256.373 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.05 | 6.8 | -7.01 | 2 | 3 | 0 | 44 | 255.365 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.05 | 7.58 | -81.37 | 4 | 3 | 2 | 47 | 257.381 | 3 | ↓ |