In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 19 | Yes |
Popular Name: (3R)-3-[(3S)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[(3S)-4-(2-ethoxyethyl)-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) | 0.29 | 5 | -35.99 | 1 | 5 | 1 | 43 | 271.381 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.29 | 2.77 | -10.8 | 0 | 5 | 0 | 42 | 270.373 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.