In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2006 | 28 | No |
Popular Name: BRD-A55247794-001-01-6 BRD-A55247794-001-01-6
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) | 1.59 | 5.54 | -19.29 | 3 | 7 | 0 | 100 | 396.472 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 4.3 | -50.63 | 2 | 7 | -1 | 102 | 395.464 | 6 | ↓ |