In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 19 | Yes |
Popular Name: (2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-propan-2-amine (2S)-1-(6,7-dihydro-4H-thieno[3,…
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) | 3.05 | 6.41 | -41.92 | 3 | 2 | 1 | 31 | 273.425 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 6.18 | -2.78 | 2 | 2 | 0 | 29 | 272.417 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.05 | 8.52 | -36.44 | 3 | 2 | 1 | 30 | 273.425 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.