In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2011 | 20 | Yes |
Popular Name: 2-[4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenyl]ethanamine 2-[4-[[(4S)-4-methyl-6,7-dihydro…
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) | 2.55 | 6.67 | -46.26 | 3 | 2 | 1 | 31 | 287.452 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 8.76 | -90.56 | 4 | 2 | 2 | 32 | 288.46 | 4 | ↓ |