In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: 4-[[[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzene-1,3-diol 4-[[[(4R)-1-methyl-4,5,6,7-tetra…
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) | 0.81 | 1.78 | -44.78 | 4 | 5 | 1 | 75 | 274.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 2.54 | -38.35 | 3 | 5 | 0 | 78 | 273.336 | 3 | ↓ |