In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2009 | 20 | Yes |
Popular Name: 3-[[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzonitrile 3-[[[(4S)-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) | 1.11 | 7.66 | -54.3 | 2 | 4 | 1 | 58 | 267.356 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 6.35 | -9.51 | 1 | 4 | 0 | 54 | 266.348 | 3 | ↓ |