In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2010 | 18 | Yes |
Popular Name: [6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methanamine [6-[(4S)-4-methyl-6,7-dihydro-4H…
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) | 2.22 | 6.27 | -43.81 | 3 | 3 | 1 | 44 | 260.386 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 5.87 | -6.19 | 2 | 3 | 0 | 42 | 259.378 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 6.15 | -27.35 | 3 | 3 | 1 | 43 | 260.386 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.22 | 6.55 | -111.55 | 4 | 3 | 2 | 45 | 261.394 | 2 | ↓ |