In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 22 | Yes |
Popular Name: 3-chloro-8-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-7-hydroxy-chromen-4-one 3-chloro-8-[[(3S,5R)-3,5-dimethy…
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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) | 3.75 | 7.33 | -48.36 | 2 | 4 | 1 | 55 | 322.812 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 8.09 | -32.65 | 1 | 4 | 0 | 58 | 321.804 | 2 | ↓ |