In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 29 | No |
Popular Name: BRD-A78830950-001-01-2 BRD-A78830950-001-01-2
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) | 1.71 | 6.95 | -81.95 | 1 | 8 | 0 | 96 | 400.431 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.71 | 4.44 | -65.72 | 0 | 8 | -1 | 95 | 399.423 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.71 | 5.99 | -51.93 | 2 | 8 | 1 | 94 | 401.439 | 8 | ↓ |