In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 18 | Yes |
Popular Name: 4-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propyl-butan-1-amine 4-[(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) | 3.02 | 9.43 | -98.79 | 3 | 2 | 2 | 21 | 268.47 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 7.35 | -40.24 | 2 | 2 | 1 | 20 | 267.462 | 7 | ↓ |