In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 24 | Yes |
Popular Name: [4-[(2R)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]-(1H-indol-2-yl)methanone [4-[(2R)-3-ethoxy-2-hydroxy-prop…
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) | 1.44 | 3 | -11.07 | 2 | 6 | 0 | 69 | 331.416 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 5.22 | -49.66 | 3 | 6 | 1 | 70 | 332.424 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.