In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 19 | Yes |
Popular Name: 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(1-methylpyrrol-3-yl)ethanone 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) | 2.23 | 9.76 | -35.2 | 1 | 3 | 1 | 26 | 275.397 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 7.76 | -9.14 | 0 | 3 | 0 | 25 | 274.389 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.