In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 28 | Yes |
Popular Name: 6-[[[(1S)-1-methylbutyl]-pentyl-amino]methyl]-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one 6-[[[(1S)-1-methylbutyl]-pentyl-…
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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) | 4.80 | 13.35 | -39.17 | 1 | 6 | 1 | 57 | 382.532 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.80 | 10.09 | -18.39 | 0 | 6 | 0 | 56 | 381.524 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.