In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 19 | No |
Popular Name: (1R)-N-ethyl-1-(p-tolyl)-3-thiomorpholino-propan-1-amine (1R)-N-ethyl-1-(p-tolyl)-3-thiom…
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) | 2.29 | 8.13 | -41.72 | 2 | 2 | 1 | 20 | 279.473 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 10.23 | -119.75 | 3 | 2 | 2 | 21 | 280.481 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 9.17 | -37.57 | 2 | 2 | 1 | 16 | 279.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.