In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 29 | No |
Popular Name: BRD-A29916350-001-01-5 BRD-A29916350-001-01-5
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) | 2.83 | 6.78 | -56.25 | 0 | 6 | -1 | 73 | 431.921 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 9.12 | -72.66 | 1 | 6 | 0 | 74 | 432.929 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 8.3 | -55.48 | 2 | 6 | 1 | 71 | 433.937 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.