In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 23 | Yes |
Popular Name: (1R)-1-(4-chlorophenyl)-N,N-dimethyl-N'-quinazolin-4-yl-ethane-1,2-diamine (1R)-1-(4-chlorophenyl)-N,N-dime…
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) | 3.81 | 10.92 | -48.92 | 2 | 4 | 1 | 42 | 327.839 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.81 | 8.91 | -8.73 | 1 | 4 | 0 | 41 | 326.831 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.81 | 11.38 | -92.34 | 3 | 4 | 2 | 43 | 328.847 | 5 | ↓ |