In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 18 | Yes |
Popular Name: (2S)-1-morpholino-2-[[(1R)-1-(3-thienyl)ethyl]amino]propan-1-one (2S)-1-morpholino-2-[[(1R)-1-(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) | 1.17 | 4.3 | -37.72 | 2 | 4 | 1 | 46 | 269.39 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 3.37 | -8.55 | 1 | 4 | 0 | 42 | 268.382 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.