In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 28 | No |
Popular Name: N,N-dimethyl-N'-[3-(4-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]ethane-1,2-diamine N,N-dimethyl-N'-[3-(4-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) | 3.45 | 14.19 | -52.43 | 2 | 9 | 1 | 105 | 378.416 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 11.73 | -11.09 | 1 | 9 | 0 | 104 | 377.408 | 6 | ↓ |