In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (4S)-1-methyl-N-[2-(2-thienyl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[2-(2-thienyl)et…
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) | 1.68 | 7.35 | -44.22 | 2 | 3 | 1 | 34 | 262.402 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 5.96 | -6.58 | 1 | 3 | 0 | 30 | 261.394 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 7.51 | -105.43 | 3 | 3 | 2 | 36 | 263.41 | 4 | ↓ |