In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 19 | No |
Popular Name: (1R,4R,7R,10S)-1,4,7,10-tetramethyl-3,6,9,12,15-pentazacyclopentadecane (1R,4R,7R,10S)-1,4,7,10-tetramet…
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) | 0.07 | 0.77 | -86 | 7 | 5 | 2 | 69 | 273.469 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.07 | -1.52 | 0.19 | 5 | 5 | 0 | 60 | 271.453 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.07 | 1.51 | -86.59 | 7 | 5 | 2 | 69 | 273.469 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.07 | 0.43 | -92.21 | 7 | 5 | 2 | 69 | 273.469 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.07 | 0.82 | -92.4 | 7 | 5 | 2 | 69 | 273.469 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.07 | 1.66 | -203.39 | 8 | 5 | 3 | 74 | 274.477 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.07 | 2.35 | -186.65 | 8 | 5 | 3 | 74 | 274.477 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.07 | 2.13 | -183.28 | 8 | 5 | 3 | 74 | 274.477 | 0 | ↓ |