In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2009 | 31 | Yes |
Popular Name: N'-benzyl-N'-[2-(3,5-dichlorophenyl)quinazolin-4-yl]-N,N-dimethyl-ethane-1,2-diamine N'-benzyl-N'-[2-(3,5-dichlorophe…
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) | 6.59 | 14.76 | -47.55 | 1 | 4 | 1 | 33 | 452.409 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.59 | 12.25 | -7.14 | 0 | 4 | 0 | 32 | 451.401 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.59 | 15.08 | -85.7 | 2 | 4 | 2 | 35 | 453.417 | 7 | ↓ |