In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2006 | 18 | Yes |
Popular Name: 7-methyl-5-(p-tolyl)-2,8,9-triazabicyclo[4.3.0]nona-6,9-dien-3-one 7-methyl-5-(p-tolyl)-2,8,9-triaz…
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) | 1.92 | 5.4 | -6.85 | 2 | 4 | 0 | 58 | 241.294 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 5.61 | -33.19 | 3 | 4 | 1 | 63 | 242.302 | 1 | ↓ |