In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 28 | Yes |
Popular Name: (1S)-1-(4-pyridyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (1S)-1-(4-pyridyl)-2-(2,4,6-trim…
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) | 4.33 | 10.21 | -10.2 | 0 | 4 | 0 | 50 | 392.524 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.33 | 10.65 | -41.27 | 1 | 4 | 1 | 52 | 393.532 | 3 | ↓ |