In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2009 | 34 | Yes |
Popular Name: 2-[(4R)-9-benzyl-2-(2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-4-yl]-6-methoxy-phenol 2-[(4R)-9-benzyl-2-(2-hydroxyphe…
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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) | 3.80 | 9.11 | -123.3 | 5 | 6 | 2 | 83 | 459.59 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 9.86 | -97.77 | 4 | 6 | 1 | 86 | 458.582 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 7.97 | -45.56 | 4 | 6 | 1 | 79 | 458.582 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 9.91 | -97.95 | 4 | 6 | 1 | 86 | 458.582 | 5 | ↓ |