In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 19 | No |
Popular Name: (4R)-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4R)-4-(2-methoxyphenyl)-4,8-dih…
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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) | 1.68 | 2.21 | -10.56 | 2 | 5 | 0 | 71 | 275.333 | 2 | ↓ |
Ref Reference (pH 7) | 1.50 | 4.69 | -10.33 | 2 | 5 | 0 | 67 | 275.333 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 2.72 | -43.74 | 0 | 5 | -1 | 69 | 274.325 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 4.65 | -8.22 | 2 | 5 | 0 | 67 | 275.333 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 2.22 | -7.86 | 2 | 5 | 0 | 71 | 275.333 | 2 | ↓ |