In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 13 | Yes |
Popular Name: 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanamine 2-[(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) | 0.97 | 2.32 | -46.67 | 3 | 2 | 1 | 31 | 197.327 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 3.99 | -32.96 | 3 | 2 | 1 | 30 | 197.327 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.97 | 4.37 | -120.47 | 4 | 2 | 2 | 32 | 198.335 | 2 | ↓ |