In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 24 | Yes |
Popular Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-thienylmethyl)piperazin-1-yl]acetamide N-[(4-fluorophenyl)methyl]-2-[4-…
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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) | 2.70 | 7.14 | -43.03 | 2 | 4 | 1 | 37 | 348.467 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 4.91 | -10.21 | 1 | 4 | 0 | 36 | 347.459 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 7.4 | -38.81 | 2 | 4 | 1 | 37 | 348.467 | 6 | ↓ |