In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 28 | Yes |
Popular Name: (2S)-2-(4-fluorophenoxy)-N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide (2S)-2-(4-fluorophenoxy)-N-[[2-[…
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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) | 2.67 | 10.04 | -46.13 | 2 | 5 | 1 | 46 | 386.491 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 7.66 | -10.81 | 1 | 5 | 0 | 45 | 385.483 | 7 | ↓ |