In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 24 | Yes |
Popular Name: N-(2-cyanophenyl)-3-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propanamide N-(2-cyanophenyl)-3-[(4S)-4-ethy…
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) | 3.45 | 10.18 | -43.01 | 2 | 4 | 1 | 57 | 340.472 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 8.48 | -8.4 | 1 | 4 | 0 | 56 | 339.464 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.