In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2005 | 26 | Yes |
Popular Name: 2,4-dichloro-N-[4-(7-thia-5,9-diazabicyclo[4.3.0]nona-1,3,5,8-tetraen-8-yl)phenyl]-benzamide 2,4-dichloro-N-[4-(7-thia-5,9-di…
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) | 5.57 | -2.2 | -15.81 | 1 | 4 | 0 | 54 | 400.29 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.57 | -2.12 | -40.38 | 2 | 4 | 1 | 56 | 401.298 | 3 | ↓ |