In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2011 | 18 | Yes |
Popular Name: (4S)-5-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-[[(3S)-3-ethylpyrrolidin-…
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) | 3.03 | 6.68 | -38.14 | 2 | 2 | 1 | 20 | 265.446 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 7.89 | -107.19 | 3 | 2 | 2 | 21 | 266.454 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.