In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 24 | No |
Popular Name: N,N-dimethyl-N'-[6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine N,N-dimethyl-N'-[6-(3-nitropheny…
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) | 2.17 | 9.9 | -53.35 | 3 | 8 | 1 | 104 | 327.368 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 7.42 | -14.35 | 2 | 8 | 0 | 103 | 326.36 | 6 | ↓ |