In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: (2R)-2-[[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]-1-(1-piperidyl)propan-1-one (2R)-2-[[(4R)-1-methyl-4,5,6,7-t…
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) | 0.56 | 6.39 | -41.32 | 2 | 5 | 1 | 55 | 291.419 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.56 | 5.4 | -12.78 | 1 | 5 | 0 | 50 | 290.411 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.56 | 6.55 | -97.43 | 3 | 5 | 2 | 56 | 292.427 | 3 | ↓ |