In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 26 | No |
Popular Name: N,N-diethyl-N'-[6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine N,N-diethyl-N'-[6-(3-nitrophenyl…
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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) | 2.92 | 11.26 | -51.49 | 3 | 8 | 1 | 104 | 355.422 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 9.12 | -14.02 | 2 | 8 | 0 | 103 | 354.414 | 8 | ↓ |