In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (4S)-N-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1S)-1-(2,6-difluorophen…
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) | 2.17 | 8.15 | -32.97 | 2 | 3 | 1 | 34 | 292.353 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 7.44 | -7.73 | 1 | 3 | 0 | 30 | 291.345 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.17 | 8.31 | -89.91 | 3 | 3 | 2 | 36 | 293.361 | 3 | ↓ |