In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 19 | Yes |
Popular Name: (4S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1S)-1-(5-chloro-2-thien…
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) | 2.63 | 7.68 | -41.51 | 2 | 3 | 1 | 34 | 296.847 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 6.69 | -6.68 | 1 | 3 | 0 | 30 | 295.839 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.63 | 7.85 | -101.14 | 3 | 3 | 2 | 36 | 297.855 | 3 | ↓ |