In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 30 | Yes |
Popular Name: 1-[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropanamine 1-[4-(3-methyl-9-phenyl-[1,2,4]t…
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) | 4.52 | 12.16 | -57.47 | 3 | 5 | 1 | 71 | 392.486 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.52 | 11.88 | -13.86 | 2 | 5 | 0 | 69 | 391.478 | 3 | ↓ |