In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 17 | Yes |
Popular Name: 3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propyl-propan-1-amine 3-[(4R)-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) | 2.75 | 6.56 | -41.25 | 2 | 2 | 1 | 20 | 253.435 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 5.22 | -2.92 | 1 | 2 | 0 | 15 | 252.427 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 7.3 | -34.87 | 2 | 2 | 1 | 16 | 253.435 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 8.65 | -108.48 | 3 | 2 | 2 | 21 | 254.443 | 6 | ↓ |