In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 34 | Yes |
Popular Name: 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene 3,7,11,18,22,26-Hexaazatricyclo[…
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CAS Number: 124481-62-5
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) | 1.61 | 9.23 | -377.27 | 11 | 6 | 5 | 95 | 471.758 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 6.62 | -158.98 | 9 | 6 | 3 | 86 | 469.742 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 6.63 | -164.32 | 9 | 6 | 3 | 86 | 469.742 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 8.09 | -278.92 | 10 | 6 | 4 | 90 | 470.75 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 9.33 | -394.16 | 11 | 6 | 5 | 95 | 471.758 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 6.64 | -176.13 | 9 | 6 | 3 | 86 | 469.742 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 8.01 | -270.01 | 10 | 6 | 4 | 90 | 470.75 | 0 | ↓ |
Lo Low (pH 4.5-6) | 1.61 | 10.55 | -530.93 | 12 | 6 | 6 | 100 | 472.766 | 0 | ↓ |