In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 24 | Yes |
Popular Name: 3-(3,5-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide 3-(3,5-dimethylphenoxy)-N-[2-(4-…
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) | 2.49 | 6.65 | -39.7 | 2 | 5 | 1 | 46 | 334.484 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 4.37 | -9.02 | 1 | 5 | 0 | 45 | 333.476 | 8 | ↓ |