In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 28 | Yes |
Popular Name: 7-[[benzyl(methyl)amino]methyl]-3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-ol 7-[[benzyl(methyl)amino]methyl]-…
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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) | 5.70 | 11.87 | -41.34 | 2 | 4 | 1 | 51 | 393.894 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.70 | 10.08 | -42.26 | 0 | 4 | -1 | 52 | 391.878 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.70 | 12.44 | -22.76 | 1 | 4 | 0 | 54 | 392.886 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.70 | 9.52 | -11.92 | 1 | 4 | 0 | 49 | 392.886 | 6 | ↓ |