In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: 2-chloro-4-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]benzonitrile 2-chloro-4-[[(4S)-1-methyl-4,5,6…
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) | 2.94 | 7.04 | -11.06 | 1 | 4 | 0 | 54 | 286.766 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 7.47 | -41.29 | 2 | 4 | 1 | 55 | 287.774 | 2 | ↓ |