In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 24 | Yes |
Popular Name: 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methyl-propyl]benzamide 2-ethoxy-N-[(2S)-3-(4-ethylpiper…
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) | 3.11 | 8.42 | -42.79 | 2 | 5 | 1 | 46 | 334.484 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 8.05 | -44.78 | 2 | 5 | 1 | 46 | 334.484 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 6.14 | -11.23 | 1 | 5 | 0 | 45 | 333.476 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.