In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 28 | Yes |
Popular Name: 8-[4-(aminomethyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one 8-[4-(aminomethyl)phenyl]-9-phen…
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) | 3.44 | 8.05 | -56.66 | 4 | 6 | 1 | 91 | 368.42 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 7.65 | -8.74 | 3 | 6 | 0 | 89 | 367.412 | 3 | ↓ |