In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2010 | 19 | Yes |
Popular Name: N1-(7-chloro-4-quinolyl)-N2,N2,2-trimethyl-propane-1,2-diamine N1-(7-chloro-4-quinolyl)-N2,N2,2…
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) | 3.52 | 7.91 | -88.86 | 3 | 3 | 2 | 31 | 279.815 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 5.12 | -5.18 | 1 | 3 | 0 | 28 | 277.799 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 5.55 | -28.87 | 2 | 3 | 1 | 29 | 278.807 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 7.49 | -44.45 | 2 | 3 | 1 | 29 | 278.807 | 4 | ↓ |