In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 17 | No |
Popular Name: (2S,4R)-4-(6-chloro-7H-purin-8-yl)-1,3-dioxolane-2-carbaldehyde (2S,4R)-4-(6-chloro-7H-purin-8-y…
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) | 0.31 | 2.38 | -37.58 | 0 | 7 | -1 | 88 | 253.625 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.22 | 1.19 | -99.95 | 0 | 7 | -2 | 94 | 252.617 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.22 | 1.81 | -44.88 | 1 | 7 | -1 | 96 | 253.625 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 2.92 | -12.8 | 1 | 7 | 0 | 90 | 254.633 | 2 | ↓ |